Cas no 112229-30-8 (Butanoic acid, 2-(acetylamino)-4-amino-, (S)-)

Butanoic acid, 2-(acetylamino)-4-amino-, (S)- structure
112229-30-8 structure
Product Name:Butanoic acid, 2-(acetylamino)-4-amino-, (S)-
CAS No:112229-30-8
MF:C6H12N2O3
MW:160.171081542969
CID:1199853
PubChem ID:10953804
Update Time:2025-04-20

Butanoic acid, 2-(acetylamino)-4-amino-, (S)- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 2-(acetylamino)-4-amino-, (S)-
    • N-alpha-Acetyl-L-2,4-diaminobutyrate
    • SCHEMBL9800504
    • Q27147192
    • (2S)-2-acetamido-4-aminobutyric acid
    • N2-Acetyl-L-2,4-diaminobutanoate
    • CHEBI:77583
    • (2S)-2-acetamido-4-aminobutanoate
    • N(2)-acetyl-L-2,4-diaminobutanoic acid
    • EN300-18539390
    • C19929
    • 112229-30-8
    • N(alpha)-Acetyl-L-2,4-diaminobutyrate
    • (2S)-2-acetamido-4-aminobutanoic acid
    • P4B
    • (2S)-4-amino-2-acetamidobutanoic acid
    • Inchi: 1S/C6H12N2O3/c1-4(9)8-5(2-3-7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
    • InChI Key: SUUKRBBXVBJLSS-YFKPBYRVSA-N
    • SMILES: OC([C@H](CCN)NC(C)=O)=O

Computed Properties

  • Exact Mass: 160.08479225g/mol
  • Monoisotopic Mass: 160.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 158
  • 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: -3.8
  • Topological Polar Surface Area: 92.4?2
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