Molecule ID: 6950476

IUPAC Name: (2S)-2-methylbutanedioic acid

Description: The molecule is a 2-methylbutanedioic acid in which the methyl group at position 2 has S-configuration. It is an enantiomer of a (R)-methylsuccinic acid.

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

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

InChI: InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -0.2