Molecule ID: 6994316

IUPAC Name: (2S)-2-azaniumyl-4-methylsulfonylbutanoate

Description: The molecule is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of methionine sulfone; major miscrospecies at pH 7.3. It is a tautomer of a L-methionine sulfone.

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: 110.0 Ų
- LogP: -2.5