2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylpyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylpyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]acetic acid CAS Name: 2-[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]acetic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CN(N=C2)CC(=O)O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CN(N=C2)CC(=O)O)C

InChI

InChI=1S/C13H19N3O3/c1-9-3-10(2)6-15(5-9)13(19)11-4-14-16(7-11)8-12(17)18/h4,7,9-10H,3,5-6,8H2,1-2H3,(H,17,18)/t9-,10-/m0/s1