N-acetyl-L-proline
N-acetyl-L-proline structure
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Common Name | N-acetyl-L-proline | ||
|---|---|---|---|---|
| CAS Number | 68-95-1 | Molecular Weight | 157.17 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 366.2±35.0 °C at 760 mmHg | |
| Molecular Formula | C7H11NO3 | Melting Point | 115-117 °C | |
| MSDS | Chinese USA | Flash Point | 175.3±25.9 °C | |
Use of N-acetyl-L-prolineN-Acetyl-L-proline is aproline derivatives. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N-acetyl-L-proline |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | N-Acetyl-L-proline is aproline derivatives. |
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| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 366.2±35.0 °C at 760 mmHg |
| Melting Point | 115-117 °C |
| Molecular Formula | C7H11NO3 |
| Molecular Weight | 157.17 |
| Flash Point | 175.3±25.9 °C |
| Exact Mass | 157.073898 |
| PSA | 57.61000 |
| LogP | -0.77 |
| Vapour Pressure | 0.0±1.8 mmHg at 25°C |
| Index of Refraction | 1.517 |
| InChIKey | GNMSLDIYJOSUSW-LURJTMIESA-N |
| SMILES | CC(=O)N1CCCC1C(=O)O |
| Storage condition | 2~8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi: Irritant; |
| Safety Phrases | S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| Packaging Group | I; II; III |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~82%
N-acetyl-L-proline CAS#:68-95-1 |
| Literature: Thorat, Prashant B.; Goswami, Santosh V.; Khade, Bhimrao C.; Bhusare, Sudhakar R. Tetrahedron Asymmetry, 2012 , vol. 23, # 17 p. 1320 - 1325 |
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~96%
N-acetyl-L-proline CAS#:68-95-1 |
| Literature: Veera Reddy; Ravindranath Synthetic Communications, 1992 , vol. 22, # 2 p. 257 - 264 |
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N-acetyl-L-proline CAS#:68-95-1 |
| Literature: Tetrahedron Letters, , vol. 48, # 46 p. 8230 - 8233 |
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N-acetyl-L-proline CAS#:68-95-1 |
| Literature: Heterocycles, , vol. 67, # 2 p. 561 - 566 |
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N-acetyl-L-proline CAS#:68-95-1 |
| Literature: Journal of Biological Chemistry, , vol. 193, p. 81,87 |
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N-acetyl-L-proline CAS#:68-95-1 |
| Literature: Biochemical Journal, , vol. 32, p. 1455 |
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N-acetyl-L-proline CAS#:68-95-1 |
| Literature: Tetrahedron Letters, , vol. 35, # 21 p. 3583 - 3584 |
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N-acetyl-L-proline CAS#:68-95-1 |
| Literature: Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , # 10 p. 1595 - 1600 |
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~%
N-acetyl-L-proline CAS#:68-95-1 |
| Literature: Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , # 10 p. 1595 - 1600 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
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| DownStream 4 | |
CAS#:16395-58-7
CAS#:67010-09-7
CAS#:63050-21-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Quantum mechanical and NMR studies of ring puckering and cis/trans-rotameric interconversion in prolines and hydroxyprolines.
J. Phys. Chem. A 113(40) , 10858-65, (2009) Nuclear magnetic resonance (NMR) and quantum mechanical (QM) studies have been carried out for proline (Pro) containing peptides: N-acetyl-l-proline (AcProOH) and N-acetyl-4-hydroxy-l-proline (AcHypOH... |
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Angiotensin-converting enzyme inhibitors. Mercaptan, carboxyalkyl dipeptide, and phosphinic acid inhibitors incorporating 4-substituted prolines.
J. Med. Chem. 31 , 1148-1160, (1988) Analogues of captopril, enalaprilat, and the phosphinic acid [hydroxy(4-phenylbutyl)phosphinyl]acetyl]-L-proline incorporating 4-substituted proline derivatives have been synthesized and evaluated as ... |
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Synergistic binding of ligands to angiotensin-converting enzyme.
J. Biol. Chem. 263 , 4056-4068, (1988) We have investigated the interaction of ligands in the active site of the angiotensin-converting enzyme from rabbit lung by monitoring the concurrent effects of two inhibitors on enzyme activity. A st... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: ERK5 transcriptional activity HTS
Source: 24565
Target: N/A
External Id: ERK5 transcriptional activity-HTS
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| N-Acetyl-L-proline |
| EINECS 200-698-9 |
| MFCD00020837 |
| (2S)-1-acetylpyrrolidine-2-carboxylic acid |
| 1-Acetyl-L-proline |
| N-Acethyl-L-proline |
| Ac-Pro-OH |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of N-acetyl-L-proline? |
| A: SMILES notation of N-acetyl-L-proline is CC(=O)N1CCCC1C(=O)O. |
| Q: What is the polar surface area (PSA) of N-acetyl-L-proline? |
| A: Polar surface area (PSA) of N-acetyl-L-proline is 57.61000. |
| Q: What are the upstream materials of N-acetyl-L-proline? |
| A: Related upstream materials(CAS) of N-acetyl-L-proline: 75-36-5;147-85-3;108-24-7;2311-25-3;33305-75-8;64-19-7;2812-47-7;463-51-4;108-05-4;94740-41-7. |
| Q: What are the storage conditions for N-acetyl-L-proline? |
| A: Storage conditions for N-acetyl-L-proline: 2~8°C. |
| Q: What are the uses of N-acetyl-L-proline? |
| A: Main uses of N-acetyl-L-proline: N-Acetyl-L-proline is aproline derivatives. |
| Q: What is the LogP of N-acetyl-L-proline? |
| A: LogP of N-acetyl-L-proline is -0.77. |
| Q: What is the boiling point of N-acetyl-L-proline? |
| A: Boiling point of N-acetyl-L-proline is 366.2±35.0 °C at 760 mmHg. |
| Q: What is the molecular formula of N-acetyl-L-proline? |
| A: Molecular formula of N-acetyl-L-proline is C7H11NO3. |
| Q: What is the CAS number of N-acetyl-L-proline? |
| A: CAS number of N-acetyl-L-proline is 68-95-1. |
| Q: What are the downstream products of N-acetyl-L-proline? |
| A: Related downstream products(CAS) of N-acetyl-L-proline: 147-85-3;16395-58-7;67010-09-7;63050-21-5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |