Molecule ID: 20438136

IUPAC Name: 2-acetamido-4-methylsulfanylbutanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of N-acetylmethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a N-acetylmethionine.

SMILES: CSCCC(N=C(C)[O-])C(=O)O

SELFIES: [C][S][C][C][C][Branch1][#Branch1][N][=C][Branch1][C][C][O-1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 94.5 Ų
- LogP: 0.7