2-azanyl-3-phenyl-propanoic acid; piperazine-2,3-dione

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; piperazine-2,3-dione Openeye Name: 2-amino-3-phenyl-propanoic acid; piperazine-2,3-dione CAS Name: 2-amino-3-phenylpropanoic acid; piperazine-2,3-dione IUPAC Name: 2-amino-3-phenylpropanoic acid; piperazine-2,3-dione Traditional Name: 2-amino-3-phenyl-propionic acid; piperazine-2,3-quinone Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(=O)N1.C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

C1CNC(=O)C(=O)N1.C1=CC=C(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C9H11NO2.C4H6N2O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-3-4(8)6-2-1-5-3/h1-5,8H,6,10H2,(H,11,12);1-2H2,(H,5,7)(H,6,8)