3-[4-(3-methylbutanoyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-methylbutanoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-methylbutanoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-methylbutanoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-(4-isovalerylpiperazino)propionic acid Formula: C12H22N2O3 MolecularWeight: 242.31468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O3/c1-10(2)9-11(15)14-7-5-13(6-8-14)4-3-12(16)17/h10H,3-9H2,1-2H3,(H,16,17)