Molecule ID: 6928497

IUPAC Name: (2R)-3-acetylsulfanyl-2-methylpropanoic acid

Description: The molecule is a monocarboxylic acid that is isobutyric acid in which a hydrogen of one of the methyl groups has been replaced by an acetylthio group (the R enantiomer). It is an important intermediate for the preparation of various angiotensin-converting enzyme inhibitors such as captopril and alacepril. It is a monocarboxylic acid and a thioacetate ester.

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

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

InChI: InChI=1S/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 79.7 Ų
- LogP: 0.7