Molecule ID: 122391265

IUPAC Name: 2-[[(Z)-octadec-9-enoyl]amino]acetate

Description: The molecule is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-oleoylglycine. It is believed to be an intermediate in oleamide biosynthesis. The major species at pH 7.3. It is a N-acylglycinate and a N-(fatty acyl)-glycine(1-). It is a conjugate base of a N-oleoylglycine.

SMILES: CCCCCCCC/C=C\CCCCCCCC([O-])=NCC(=O)O

SELFIES: [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][Branch1][C][O-1][=N][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)/p-1/b10-9-

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 7.3