Cas no 72342-65-5 ((S)-4-amino-2-methyl-4-oxobutanoic acid)
72342-65-5 structure
Product Name:(S)-4-amino-2-methyl-4-oxobutanoic acid
CAS No:72342-65-5
MF:C5H9NO3
MW:131.129861593246
CID:839256
PubChem ID:58120408
Update Time:2025-04-19
(S)-4-amino-2-methyl-4-oxobutanoic acid Chemical and Physical Properties
Names and Identifiers
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- (S)-4-amino-2-methyl-4-oxobutanoic acid
- (2S)-4-amino-2-methyl-4-oxobutanoic acid
- (S)-3-Carbamoyl-2-methylpropionic acid
- 72342-65-5
- DTXSID60728839
- SCHEMBL8414579
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- Inchi: 1S/C5H9NO3/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H2,6,7)(H,8,9)/t3-/m0/s1
- InChI Key: APLDKCVZGJSYQQ-VKHMYHEASA-N
- SMILES: OC([C@@H](C)CC(N)=O)=O
Computed Properties
- Exact Mass: 131.05827
- Monoisotopic Mass: 131.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 132
- 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: -0.9
- Topological Polar Surface Area: 80.4?2
Experimental Properties
- PSA: 80.39
(S)-4-amino-2-methyl-4-oxobutanoic acid Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Jason Wan Lab Chip, 2020,20, 4528-4538
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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