Molecule ID: 135563674

IUPAC Name: (2S)-2-hydroxy-2-(octanoylamino)acetate

Description: The molecule is an N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-octanoyl-(2S)-hydroxyglycine. The major species at pH 7.3. It is a conjugate base of a N-octanoyl-(2S)-hydroxyglycine.

SMILES: CCCCCCCC([O-])=N[C@@H](O)C(=O)O

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

InChI: InChI=1S/C10H19NO4/c1-2-3-4-5-6-7-8(12)11-9(13)10(14)15/h9,13H,2-7H2,1H3,(H,11,12)(H,14,15)/p-1/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 2.2