Cas no 428518-39-2 (3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo-, (3S)-)
428518-39-2 structure
Product Name:3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo-, (3S)-
CAS No:428518-39-2
MF:C8H13NO3
MW:171.193722486496
CID:326867
PubChem ID:7046694
Update Time:2025-04-19
3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo-, (3S)- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo-, (3S)-
- 3-Pyrrolidinecarboxylicacid,1-(1-methylethyl)-5-oxo-,(3S)-(9CI)
- DTXSID80427559
- (3S)-5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
- 428518-39-2
- (S)-1-Isopropyl-5-oxopyrrolidine-3-carboxylic acid
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- Inchi： 1S/C8H13NO3/c1-5(2)9-4-6(8(11)12)3-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)/t6-/m0/s1
- InChI Key： YKWIPHFVESIOGN-LURJTMIESA-N
- SMILES： O=C1C[C@H](C(=O)O)CN1C(C)C
Computed Properties
- Exact Mass: 171.08954328g/mol
- Monoisotopic Mass: 171.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 212
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: -0.2
- Topological Polar Surface Area: 57.6?2
3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo-, (3S)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
428518-39-2 (3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo-, (3S)-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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