Molecule ID: mol11413
SMILES: O=C(O)CN(CC(=O)O)C1(C(=O)O)CCCC1
InChI: InChI=1S/C10H15NO6/c12-7(13)5-11(6-8(14)15)10(9(16)17)3-1-2-4-10/h1-6H2,(H,12,13)(H,14,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.61 | IUPAC digitized pKa | -1 » -2 |
| 1.61 | QSARToolbox | -1 » -2 |
| 2.56 | IUPAC digitized pKa | 0 » -1 |
| 11.69 | IUPAC digitized pKa | -2 » -3 |