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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCCC(C1)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)CN1CCCC(C1)C(=O)O

InChI

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