Molecule ID: mol37640

SMILES: C[C@H]([C@H](C)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

InChI: InChI=1S/C12H20N2O8/c1-7(13(3-9(15)16)4-10(17)18)8(2)14(5-11(19)20)6-12(21)22/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t7-,8+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.08 QSARToolbox -3 » -4
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Charge States and Microspecies Visualization