Molecule ID: 5651756

IUPAC Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of N-cinnamoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a metabolite. It is a monocarboxylic acid anion and a N-acylglycinate. It is a conjugate base of a N-cinnamoylglycine.

SMILES: O=C(O)CN=C([O-])/C=C/c1ccccc1

SELFIES: [O][=C][Branch1][C][O][C][N][=C][Branch1][C][O-1][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/p-1/b7-6+

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 1.9