(3R)-1-[6-[[(2S)-2-azaniumylpropanoyl]amino]pyridin-3-yl]piperidine-3-carboxylate

Systemtic Name: (3R)-1-[6-[[(2S)-2-azaniumylpropanoyl]amino]pyridin-3-yl]piperidine-3-carboxylate Openeye Name: (3R)-1-[6-[[(2S)-2-azaniumylpropanoyl]amino]-3-pyridyl]piperidine-3-carboxylate CAS Name: (3R)-1-[6-[[(2S)-2-ammonio-1-oxopropyl]amino]-3-pyridinyl]-3-piperidinecarboxylate IUPAC Name: (3R)-1-[6-[[(2S)-2-azaniumylpropanoyl]amino]pyridin-3-yl]piperidine-3-carboxylate Traditional Name: (3R)-1-[6-[[(2S)-2-ammoniopropanoyl]amino]-3-pyridyl]nipecotate Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)N2CCCC(C2)C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)N2CCC[C@H](C2)C(=O)[O-])[NH3+]

InChI

InChI=1S/C14H20N4O3/c1-9(15)13(19)17-12-5-4-11(7-16-12)18-6-2-3-10(8-18)14(20)21/h4-5,7,9-10H,2-3,6,8,15H2,1H3,(H,20,21)(H,16,17,19)/t9-,10+/m0/s1