1-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]piperidine-3-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-(propargylamino)ethyl]nipecotic acid Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)N1CCCC(C1)C(=O)O

Isomeric SMILES

CC(C(=O)NCC#C)N1CCCC(C1)C(=O)O

InChI

InChI=1S/C12H18N2O3/c1-3-6-13-11(15)9(2)14-7-4-5-10(8-14)12(16)17/h1,9-10H,4-8H2,2H3,(H,13,15)(H,16,17)