2-(acetylamino)-4-phenylbutanoic acid

Properties Image MNX_ID MNXM1128917 reference chebi:167784 formula C12H15NO3 global charge 0 mol weight 221.256 InChIKey CNQZAOFOKXXEOB-UHFFFAOYSA-N InChI InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16) SMILES CC(=O)NC(CCC1=CC=CC=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11? SMILES (mnx) [CH3:1][C:9](=[N:13][CH:11]([CH2:8][CH2:7][C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:12](=[O:15])[OH:16])[OH:14]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0