Molecule ID: 122391304

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

Description: The molecule is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-[(9Z)-hexadecenoyl]glycine. 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-[(9Z)-hexadecenoyl]glycine.

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

SELFIES: [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/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h7-8H,2-6,9-16H2,1H3,(H,19,20)(H,21,22)/p-1/b8-7-

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 6.2