(2S)-2-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylpyrazol-1-yl]propanoate

Systemtic Name: (2S)-2-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylpyrazol-1-yl]propanoate Openeye Name: (2S)-2-[3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]propanoate CAS Name: (2S)-2-[3-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: (2S)-2-[3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]propanoate Traditional Name: (2S)-2-[3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]propionate Formula: C14H20N3O3- MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=NN(C=C2)C(C)C(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=NN(C=C2)[C@@H](C)C(=O)[O-])C

InChI

InChI=1S/C14H21N3O3/c1-9-6-10(2)8-16(7-9)13(18)12-4-5-17(15-12)11(3)14(19)20/h4-5,9-11H,6-8H2,1-3H3,(H,19,20)/p-1/t9-,10-,11-/m0/s1