Molecule ID: 5462259

IUPAC Name: (3S)-2-oxo-3-propan-2-ylbutanedioic acid

Description: The molecule is an oxo dicarboxylic acid that is 2-ketosuccinic acid (oxalacetic acid) in which the 3-pro-S hydrogen is substituted by an isopropyl group. It derives from a succinic acid. It is a conjugate acid of a (2S)-2-isopropyl-3-oxosuccinate(2-).

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

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

InChI: InChI=1S/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 91.7 Ų
- LogP: 0.7