Molecule ID: mol8474
SMILES: CCC(C)(N)C(=O)O
InChI: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.40 | QSARToolbox | 1 » 0 |
| 4.20 | QSARToolbox | 1 » 0 |
| 9.98 | OCHEM | 0 » -1 |
| 9.98 | QSARToolbox | 0 » -1 |
| 9.98 | IUPAC digitized pKa | 0 » -1 |
| 9.98 | Datawarrior | 0 » -1 |