3-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(3-methyl-1-oxobut-2-enyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-methylbut-2-enoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-methylbut-2-enoyl)piperazino]propionic acid Formula: C12H20N2O3 MolecularWeight: 240.2988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)CCC(=O)O)C

Isomeric SMILES

CC(=CC(=O)N1CCN(CC1)CCC(=O)O)C

InChI

InChI=1S/C12H20N2O3/c1-10(2)9-11(15)14-7-5-13(6-8-14)4-3-12(16)17/h9H,3-8H2,1-2H3,(H,16,17)