Molecule ID: mol5268
SMILES: CCC(N)C(=O)O
InChI: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.27 | IUPAC digitized pKa | 1 » 0 |
| 2.29 | IUPAC digitized pKa | 1 » 0 |
| 2.29 | OCHEM | 1 » 0 |
| 2.29 | IUPAC digitized pKa | 1 » 0 |
| 2.29 | QSARToolbox | 1 » 0 |
| 2.29 | QSARToolbox | 1 » 0 |
| 2.29 | QSARToolbox | 1 » 0 |
| 2.29 | Datawarrior | 1 » 0 |
| 2.29 | OCHEM | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.30 | QSARToolbox | 1 » 0 |
| 2.30 | QSARToolbox | 1 » 0 |
| 2.31 | QSARToolbox | 1 » 0 |
| 2.31 | QSARToolbox | 1 » 0 |
| 2.31 | IUPAC digitized pKa | 1 » 0 |
| 2.33 | IUPAC digitized pKa | 1 » 0 |
| 2.39 | IUPAC digitized pKa | 1 » 0 |
| 2.42 | IUPAC digitized pKa | 1 » 0 |
| 2.46 | IUPAC digitized pKa | 1 » 0 |
| 2.55 | QSARToolbox | 1 » 0 |
| 2.55 | IUPAC digitized pKa | 1 » 0 |
| 2.55 | AttenGpKa training set | 1 » 0 |
| 9.00 | IUPAC digitized pKa | 0 » -1 |
| 9.23 | QSARToolbox | 0 » -1 |
| 9.23 | QSARToolbox | 0 » -1 |
| 9.23 | IUPAC digitized pKa | 0 » -1 |
| 9.25 | IUPAC digitized pKa | 0 » -1 |
| 9.33 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | IUPAC digitized pKa | 0 » -1 |
| 9.54 | IUPAC digitized pKa | 0 » -1 |
| 9.56 | IUPAC digitized pKa | 0 » -1 |
| 9.60 | IUPAC digitized pKa | 0 » -1 |
| 9.62 | IUPAC digitized pKa | 0 » -1 |
| 9.62 | IUPAC digitized pKa | 0 » -1 |
| 9.66 | QSARToolbox | 0 » -1 |
| 9.66 | QSARToolbox | 0 » -1 |
| 9.67 | Datawarrior | 0 » -1 |
| 9.67 | OCHEM | 0 » -1 |
| 9.68 | IUPAC digitized pKa | 0 » -1 |
| 9.72 | AttenGpKa training set | 0 » -1 |
| 9.73 | IUPAC digitized pKa | 0 » -1 |
| 9.80 | OCHEM | 0 » -1 |
| 9.83 | QSARToolbox | 0 » -1 |
| 9.83 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | IUPAC digitized pKa | 0 » -1 |
| 9.97 | IUPAC digitized pKa | 0 » -1 |
| 10.18 | IUPAC digitized pKa | 0 » -1 |
| 10.53 | IUPAC digitized pKa | 0 » -1 |