Cas no 428518-40-5 (3-PYRROLIDINECARBOXYLIC ACID, 1-BUTYL-5-OXO-, (3R)-)
428518-40-5 structure
Product Name:3-PYRROLIDINECARBOXYLIC ACID, 1-BUTYL-5-OXO-, (3R)-
CAS No:428518-40-5
MF:C9H15NO3
MW:185.220302820206
CID:3300341
PubChem ID:7711162
Update Time:2025-04-21
3-PYRROLIDINECARBOXYLIC ACID, 1-BUTYL-5-OXO-, (3R)- Chemical and Physical Properties
Names and Identifiers
-
- 3-PYRROLIDINECARBOXYLIC ACID, 1-BUTYL-5-OXO-, (3R)-
- SCHEMBL8293341
- 428518-40-5
-
- Inchi： 1S/C9H15NO3/c1-2-3-4-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)/t7-/m1/s1
- InChI Key： LLPSQGIRADJCIU-SSDOTTSWSA-N
- SMILES： O=C1C[C@@H](C(=O)O)CN1CCCC
Computed Properties
- Exact Mass: 185.10519334Da
- Monoisotopic Mass: 185.10519334Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 0.2
- Topological Polar Surface Area: 57.6?2
3-PYRROLIDINECARBOXYLIC ACID, 1-BUTYL-5-OXO-, (3R)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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