(2R)-2-[[(1R,2S)-2-oxidanylcyclohexyl]azaniumyl]-3-(1H-pyrazol-4-yl)propanoate

Systemtic Name: (2R)-2-[[(1R,2S)-2-oxidanylcyclohexyl]azaniumyl]-3-(1H-pyrazol-4-yl)propanoate Openeye Name: (2R)-2-[[(1R,2S)-2-hydroxycyclohexyl]ammonio]-3-(1H-pyrazol-4-yl)propanoate CAS Name: (2R)-2-[[(1R,2S)-2-hydroxycyclohexyl]ammonio]-3-(1H-pyrazol-4-yl)propanoate IUPAC Name: (2R)-2-[[(1R,2S)-2-hydroxycyclohexyl]azaniumyl]-3-(1H-pyrazol-4-yl)propanoate Traditional Name: (2R)-2-[[(1R,2S)-2-hydroxycyclohexyl]ammonio]-3-(1H-pyrazol-4-yl)propionate Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)[NH2+]C(CC2=CNN=C2)C(=O)[O-])O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)[NH2+][C@H](CC2=CNN=C2)C(=O)[O-])O

InChI

InChI=1S/C12H19N3O3/c16-11-4-2-1-3-9(11)15-10(12(17)18)5-8-6-13-14-7-8/h6-7,9-11,15-16H,1-5H2,(H,13,14)(H,17,18)/t9-,10-,11+/m1/s1