Cas no 428518-38-1 (3-Pyrrolidinecarboxylicacid, 1-ethyl-5-oxo-, (3S)-)
428518-38-1 structure
Product Name:3-Pyrrolidinecarboxylicacid, 1-ethyl-5-oxo-, (3S)-
CAS No:428518-38-1
MF:C7H11NO3
MW:157.167142152786
CID:326866
PubChem ID:7141945
Update Time:2025-04-19
3-Pyrrolidinecarboxylicacid, 1-ethyl-5-oxo-, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrrolidinecarboxylicacid, 1-ethyl-5-oxo-, (3S)-
- 3-Pyrrolidinecarboxylicacid,1-ethyl-5-oxo-,(3S)-(9CI)
- AC1OG6D7
- DTXSID60428004
- (S)-1-Ethyl-5-oxopyrrolidine-3-carboxylic acid
- 428518-38-1
-
- Inchi： 1S/C7H11NO3/c1-2-8-4-5(7(10)11)3-6(8)9/h5H,2-4H2,1H3,(H,10,11)/t5-/m0/s1
- InChI Key： BNPUQHZYYWBHSW-YFKPBYRVSA-N
- SMILES： O=C1C[C@H](C(=O)O)CN1CC
Computed Properties
- Exact Mass: 157.07389321g/mol
- Monoisotopic Mass: 157.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 57.6?2
3-Pyrrolidinecarboxylicacid, 1-ethyl-5-oxo-, (3S)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
428518-38-1 (3-Pyrrolidinecarboxylicacid, 1-ethyl-5-oxo-, (3S)-) Related Products
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