Molecule ID: 152441

IUPAC Name: (2S)-2-amino-4-oxo-4-phosphonooxybutanoic acid

Description: The molecule is the 4-phospho derivative of L-aspartic acid. It has a role as an Escherichia coli metabolite. It is an aminoacyl phosphate, a L-aspartic acid derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a 4-phosphonato-L-aspartic acid(2-) and a 4-phospho-L-aspartate.

SMILES: N[C@@H](CC(=O)OP(=O)(O)O)C(=O)O

SELFIES: [N][C@@H1][Branch1][#C][C][C][=Branch1][C][=O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1

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