5-oxidanylidenepyrrolidine-2-carboxylate trihydrate

Systemtic Name: 5-oxidanylidenepyrrolidine-2-carboxylate trihydrate Openeye Name: 5-oxopyrrolidine-2-carboxylate trihydrate CAS Name: 5-oxo-2-pyrrolidinecarboxylate trihydrate IUPAC Name: 5-oxopyrrolidine-2-carboxylate trihydrate Traditional Name: pyroglutamate trihydrate Formula: C5H12NO6- MolecularWeight: 182.15188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)[O-].O.O.O

Isomeric SMILES

C1CC(=O)NC1C(=O)[O-].O.O.O

InChI

InChI=1S/C5H7NO3.3H2O/c7-4-2-1-3(6-4)5(8)9;;;/h3H,1-2H2,(H,6,7)(H,8,9);3*1H2/p-1