Molecule ID: mol5279
SMILES: CC(C)(N)C(=O)O
InChI: InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | OCHEM | 1 » 0 |
| 2.36 | OCHEM | 1 » 0 |
| 2.36 | AttenGpKa training set | 1 » 0 |
| 2.37 | OCHEM | 1 » 0 |
| 2.38 | IUPAC digitized pKa | 1 » 0 |
| 2.38 | IUPAC digitized pKa | 1 » 0 |
| 2.39 | Datawarrior | 1 » 0 |
| 2.39 | OCHEM | 1 » 0 |
| 2.42 | IUPAC digitized pKa | 1 » 0 |
| 2.48 | IUPAC digitized pKa | 1 » 0 |
| 2.48 | QSARToolbox | 1 » 0 |
| 9.56 | QSARToolbox | 0 » -1 |
| 9.56 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 10.02 | IUPAC digitized pKa | 0 » -1 |
| 10.08 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | IUPAC digitized pKa | 0 » -1 |
| 10.15 | Datawarrior | 0 » -1 |
| 10.15 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.21 | IUPAC digitized pKa | 0 » -1 |
| 10.21 | AttenGpKa training set | 0 » -1 |
| 10.21 | QSARToolbox | 0 » -1 |
| 10.21 | QSARToolbox | 0 » -1 |
| 10.22 | IUPAC digitized pKa | 0 » -1 |
| 10.24 | IUPAC digitized pKa | 0 » -1 |
| 10.25 | IUPAC digitized pKa | 0 » -1 |
| 10.58 | IUPAC digitized pKa | 0 » -1 |
| 10.96 | IUPAC digitized pKa | 0 » -1 |