(3S)-1-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[oxo-(2-oxo-1H-pyridin-3-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-keto-1H-pyridine-3-carbonyl)nipecotic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CNC2=O)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CNC2=O)C(=O)O

InChI

InChI=1S/C12H14N2O4/c15-10-9(4-1-5-13-10)11(16)14-6-2-3-8(7-14)12(17)18/h1,4-5,8H,2-3,6-7H2,(H,13,15)(H,17,18)/t8-/m0/s1