3-(aminomethyl)-3-azanyl-pentanedioic acid; 4-azanylbutanoic acid; hexanedioic acid

Systemtic Name: 3-(aminomethyl)-3-azanyl-pentanedioic acid; 4-azanylbutanoic acid; hexanedioic acid Openeye Name: adipic acid; 3-amino-3-(aminomethyl)pentanedioic acid; 4-aminobutanoic acid CAS Name: 3-amino-3-(aminomethyl)pentanedioic acid; 4-aminobutanoic acid; hexanedioic acid IUPAC Name: 3-amino-3-(aminomethyl)pentanedioic acid; 4-aminobutanoic acid; hexanedioic acid Traditional Name: adipic acid; 3-amino-3-(aminomethyl)glutaric acid; 4-aminobutyric acid Formula: C16H31N3O10 MolecularWeight: 425.43144

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CC(=O)O.C(CC(=O)O)CN.C(C(=O)O)C(CC(=O)O)(CN)N

Isomeric SMILES

C(CCC(=O)O)CC(=O)O.C(CC(=O)O)CN.C(C(=O)O)C(CC(=O)O)(CN)N

InChI

InChI=1S/C6H12N2O4.C6H10O4.C4H9NO2/c7-3-6(8,1-4(9)10)2-5(11)12;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4(6)7/h1-3,7-8H2,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);1-3,5H2,(H,6,7)