Molecule ID: mol11100
SMILES: CCOC(=O)NCCN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C9H16N2O6/c1-2-17-9(16)10-3-4-11(5-7(12)13)6-8(14)15/h2-6H2,1H3,(H,10,16)(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | IUPAC digitized pKa | 0 » -1 |
| 2.20 | QSARToolbox | 0 » -1 |
| 8.57 | IUPAC digitized pKa | -1 » -2 |