Molecule ID: 528

IUPAC Name: 4-acetyloxy-2-aminobutanoic acid

Description: The molecule is an alpha-amino acid that is homoserine in which the alcoholic hydroxy group has been converted to the corresponding acetate. It is an acetate ester and a non-proteinogenic alpha-amino acid. It derives from a homoserine. It is a tautomer of an O-acetylhomoserine zwitterion.

SMILES: CC(=O)OCCC(N)C(=O)O

SELFIES: [C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 89.6 Ų
- LogP: -3.8