(2S)-2-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanoic acid

Systemtic Name: (2S)-2-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanoic acid Openeye Name: (2S)-2-(1-piperidyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid CAS Name: (2S)-2-(1-piperidinyl)-2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid IUPAC Name: (2S)-2-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid Traditional Name: (2S)-2-piperidino-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(C(=O)O)N2CCCCC2

Isomeric SMILES

CC1=C(C(=NN1C)C)[C@@H](C(=O)O)N2CCCCC2

InChI

InChI=1S/C13H21N3O2/c1-9-11(10(2)15(3)14-9)12(13(17)18)16-7-5-4-6-8-16/h12H,4-8H2,1-3H3,(H,17,18)/t12-/m0/s1