Molecule ID: 99642563

IUPAC Name: (2S)-2-hydroxy-2-(octanoylamino)acetic acid

Description: The molecule is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of octanoic acid (caprylic acid) with the amino group of (2S)-hydroxyglycine. It derives from an octanoic acid. It is a conjugate acid of a N-octanoyl-(2S)-hydroxyglycinate.

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

SELFIES: [C][C][C][C][C][C][C][C][Branch1][C][O][=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)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: 1.6