Cas no 72342-65-5 ((S)-4-amino-2-methyl-4-oxobutanoic acid)

(S)-4-amino-2-methyl-4-oxobutanoic acid structure
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

    • (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
    • 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
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