2-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pentanoic acid

Systemtic Name: 2-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 2-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pentanoic acid CAS Name: 2-methyl-2-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 2-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 2-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]valeric acid Formula: C13H19N3O3 MolecularWeight: 265.30826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C=CC1=CN(N=C1)C

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)/C=C/C1=CN(N=C1)C

InChI

InChI=1S/C13H19N3O3/c1-4-7-13(2,12(18)19)15-11(17)6-5-10-8-14-16(3)9-10/h5-6,8-9H,4,7H2,1-3H3,(H,15,17)(H,18,19)/b6-5+