Molecule ID: 25245295

IUPAC Name: 2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetate

Description: The molecule is an N-acylglycinate that is the conjugate base of N-feruloylglycine; major species at pH 7.3. It is a conjugate base of a N-feruloylglycine.

SMILES: COc1cc(/C=C/C(O)=NCC(=O)O)ccc1[O-]

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

InChI: InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/p-1/b5-3+

Molecular Properties:
- Polar Surface Area: 98.7 Ų
- LogP: 1.5