Molecule ID: mol36140

SMILES: O=C(O)CN(CC(=O)O)[C@H]1CC[C@@H]1N(CC(=O)O)CC(=O)O

InChI: InChI=1S/C12H18N2O8/c15-9(16)3-13(4-10(17)18)7-1-2-8(7)14(5-11(19)20)6-12(21)22/h7-8H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t7-,8-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.70 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization