4-(3-methylbutyl)piperazine-1,3-dicarboxylic acid

Systemtic Name: 4-(3-methylbutyl)piperazine-1,3-dicarboxylic acid Openeye Name: 4-isopentylpiperazine-1,3-dicarboxylic acid CAS Name: 4-(3-methylbutyl)piperazine-1,3-dicarboxylic acid IUPAC Name: 4-(3-methylbutyl)piperazine-1,3-dicarboxylic acid Traditional Name: 4-isoamylpiperazine-1,3-dicarboxylic acid Formula: C11H20N2O4 MolecularWeight: 244.2875

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN(CC1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCN1CCN(CC1C(=O)O)C(=O)O

InChI

InChI=1S/C11H20N2O4/c1-8(2)3-4-12-5-6-13(11(16)17)7-9(12)10(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)(H,16,17)