Molecule ID: 25010749

IUPAC Name: 2-(hydroxyamino)-8-methylsulfanyloctanoic acid

Description: The molecule is an N-hydroxy-alpha-amino acid having a 7-thiaoctyl substituent at the 2-position. It derives from a tetrahomomethionine. It is a conjugate acid of a N-hydroxytetrahomomethioninate.

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

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

InChI: InChI=1S/C9H19NO3S/c1-14-7-5-3-2-4-6-8(10-13)9(11)12/h8,10,13H,2-7H2,1H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 94.9 Ų
- LogP: -0.7