Molecule ID: mol10701
SMILES: CC(C)(C(=O)O)N(CC(=O)O)CC(=O)O
InChI: InChI=1S/C8H13NO6/c1-8(2,7(14)15)9(3-5(10)11)4-6(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.51 | QSARToolbox | -1 » -2 |
| 1.51 | IUPAC digitized pKa | -1 » -2 |
| 2.52 | IUPAC digitized pKa | 0 » -1 |
| 11.86 | IUPAC digitized pKa | -2 » -3 |