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

Systemtic Name: 1-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(isobutylamino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(2-methylpropylamino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(isobutylamino)-2-keto-ethyl]nipecotic acid Formula: C12H22N2O3 MolecularWeight: 242.31468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CN1CCCC(C1)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)CN1CCCC(C1)C(=O)O

InChI

InChI=1S/C12H22N2O3/c1-9(2)6-13-11(15)8-14-5-3-4-10(7-14)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)