Molecule ID: 5230519

IUPAC Name: 2-amino-3-oxo-4-phosphonooxybutanoic acid

Description: The molecule is an alpha-amino acid that consists of 2-amino-3-oxo-4-hydroxybutanoic acid in which the hydrogen of the hydroxy function is substituted by a phospho group. It is an O-phosphoamino acid and a non-proteinogenic alpha-amino acid. It is a conjugate acid of a 2-amino-3-oxo-4-(phosphonatooxy)butanoate.

SMILES: NC(C(=O)O)C(=O)COP(=O)(O)O

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

InChI: InChI=1S/C4H8NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h3H,1,5H2,(H,7,8)(H2,9,10,11)

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: -5.2