Molecule ID: 10197842

IUPAC Name: (2S)-2-amino-4-dimethylsulfoniobutanoate

Description: The molecule is a sulfonium betaine that is a conjugate base of S-methyl-L-methionine obtained by the deprotonation of the carboxy group. It is a sulfonium betaine and a methyl-L-methionine. It derives from a L-methioninate. It is a conjugate base of a S-methyl-L-methionine.

SMILES: C[S+](C)CC[C@H](N)C(=O)[O-]

SELFIES: [C][S+1][Branch1][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 67.2 Ų
- LogP: -1.7