2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]pentanoic acid

Systemtic Name: 2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]pentanoic acid CAS Name: 2-[[(E)-3-(2-methyl-3-pyrazolyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 2-[[(E)-3-(2-methylpyrazol-3-yl)acryloyl]amino]valeric acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C=CC1=CC=NN1C

Isomeric SMILES

CCCC(C(=O)O)NC(=O)/C=C/C1=CC=NN1C

InChI

InChI=1S/C12H17N3O3/c1-3-4-10(12(17)18)14-11(16)6-5-9-7-8-13-15(9)2/h5-8,10H,3-4H2,1-2H3,(H,14,16)(H,17,18)/b6-5+