Molecule ID: 440064

IUPAC Name: (2S,3S)-2-amino-3-methylbutanedioic acid

Description: The molecule is an aspartic acid derivative having a 3-methyl substituent. It is a non-proteinogenic L-alpha-amino acid and an amino dicarboxylic acid. It is a conjugate acid of a threo-3-methyl-L-aspartate(1-).

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

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

InChI: InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: -3.3