Molecule ID: mol9448
SMILES: CC(NC(=O)CN)C(=O)O
InChI: InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | QSARToolbox | 1 » 0 |
| 3.15 | QSARToolbox | 1 » 0 |
| 3.15 | QSARToolbox | 1 » 0 |
| 3.15 | QSARToolbox | 1 » 0 |
| 3.21 | IUPAC digitized pKa | 1 » 0 |
| 3.22 | IUPAC digitized pKa | 1 » 0 |
| 3.34 | QSARToolbox | 1 » 0 |
| 8.21 | IUPAC digitized pKa | 0 » -1 |
| 8.24 | IUPAC digitized pKa | 0 » -1 |
| 8.25 | QSARToolbox | 0 » -1 |
| 8.36 | QSARToolbox | 0 » -1 |