Molecule ID: 445282

IUPAC Name: (2S)-2-amino-4-methylsulfonylbutanoic acid

Description: The molecule is an L-methionine derivative in which the sulfur has been oxidised to the corresponding sulfone. It has a role as an animal metabolite. It is a L-methionine derivative, a non-proteinogenic L-alpha-amino acid and a methionine sulfone. It is a tautomer of a methionine sulfone zwitterion.

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

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

InChI: InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: -3.1