1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(cyanomethylamino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(cyanomethylamino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(cyanomethylamino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(cyanomethylamino)-2-keto-ethyl]nipecotic acid Formula: C10H15N3O3 MolecularWeight: 225.2444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NCC#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC(=O)NCC#N)C(=O)O

InChI

InChI=1S/C10H15N3O3/c11-3-4-12-9(14)7-13-5-1-2-8(6-13)10(15)16/h8H,1-2,4-7H2,(H,12,14)(H,15,16)