Cas no 57229-74-0 ((2S)-3-carbamoyl-2-hydroxypropanoic acid)

(2S)-3-carbamoyl-2-hydroxypropanoic acid structure
57229-74-0 structure
Product Name:(2S)-3-carbamoyl-2-hydroxypropanoic acid
CAS No:57229-74-0
MF:C4H7NO4
MW:133.102681398392
CID:346105
PubChem ID:13074071
Update Time:2025-04-19

(2S)-3-carbamoyl-2-hydroxypropanoic acid Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 4-amino-2-hydroxy-4-oxo-, (S)-
    • L-beta-Malamidic acid
    • (2S)-3-carbamoyl-2-hydroxypropanoic acid
    • (2S)-4-Amino-2-hydroxy-4-oxobutanoic acid
    • DTXSID00517380
    • SCHEMBL5753862
    • RTTYFXMXRFYCHM-REOHCLBHSA-N
    • EN300-136576
    • 57229-74-0
    • Inchi: 1S/C4H7NO4/c5-3(7)1-2(6)4(8)9/h2,6H,1H2,(H2,5,7)(H,8,9)/t2-/m0/s1
    • InChI Key: RTTYFXMXRFYCHM-REOHCLBHSA-N
    • SMILES: O[C@H](C(=O)O)CC(N)=O

Computed Properties

  • Exact Mass: 133.03751
  • Monoisotopic Mass: 133.03750770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 133
  • 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: -1.9
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.514±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Soluble (948 g/l) (25 o C),
  • PSA: 100.62

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