2-[[(1S,2S)-2-oxidanylcyclohexyl]amino]-3-(1H-pyrazol-4-yl)propanoic acid

Systemtic Name: 2-[[(1S,2S)-2-oxidanylcyclohexyl]amino]-3-(1H-pyrazol-4-yl)propanoic acid Openeye Name: 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-pyrazol-4-yl)propanoic acid CAS Name: 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-pyrazol-4-yl)propanoic acid IUPAC Name: 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-pyrazol-4-yl)propanoic acid Traditional Name: 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-pyrazol-4-yl)propionic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(CC2=CNN=C2)C(=O)O)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(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-/m0/s1