Molecule ID: 25010750

IUPAC Name: 2-(hydroxyamino)-7-methylsulfanylheptanoic acid

Description: The molecule is an N-hydroxy-alpha-amino acid having a 6-thiaheptyl substituent at the 2-position. It derives from a trihomomethionine. It is a conjugate acid of a N-hydroxytrihomomethioninate.

SMILES: CSCCCCCC(NO)C(=O)O

SELFIES: [C][S][C][C][C][C][C][C][Branch1][Ring1][N][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H17NO3S/c1-13-6-4-2-3-5-7(9-12)8(10)11/h7,9,12H,2-6H2,1H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 94.9 Ų
- LogP: -1.3