Molecule ID: 28125549

IUPAC Name: (2S,3R)-2-azaniumyl-3-hydroxybutanedioate

Description: The molecule is conjugate base of (3R)-3-hydroxy-L-aspartic acid arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3. It is a L-alpha-amino acid anion and a dicarboxylic acid anion. It is a conjugate base of a (3R)-3-hydroxy-L-aspartic acid. It is an enantiomer of a (3S)-3-hydroxy-D-aspartate(1-).

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

SELFIES: [N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/p-1/t1-,2+/m0/s1

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: -3.1