Molecule ID: mol754
SMILES: CC(C)[C@H](N)C(=O)O
InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.17 | IUPAC digitized pKa | 1 » 0 |
| 2.24 | IUPAC digitized pKa | 1 » 0 |
| 2.26 | IUPAC digitized pKa | 1 » 0 |
| 2.29 | IUPAC digitized pKa | 1 » 0 |
| 2.29 | QSARToolbox | 1 » 0 |
| 2.29 | OCHEM | 1 » 0 |
| 2.29 | OCHEM | 1 » 0 |
| 2.29 | Hunt | 1 » 0 |
| 2.29 | Hunt | 1 » 0 |
| 2.29 | OCHEM | 1 » 0 |
| 2.29 | IUPAC digitized pKa | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.30 | QSARToolbox | 1 » 0 |
| 2.31 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | AttenGpKa training set | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.38 | QSARToolbox | 1 » 0 |
| 9.12 | IUPAC digitized pKa | 0 » -1 |
| 9.15 | IUPAC digitized pKa | 0 » -1 |
| 9.22 | QSARToolbox | 0 » -1 |
| 9.41 | IUPAC digitized pKa | 0 » -1 |
| 9.44 | IUPAC digitized pKa | 0 » -1 |
| 9.46 | IUPAC digitized pKa | 0 » -1 |
| 9.59 | IUPAC digitized pKa | 0 » -1 |
| 9.59 | QSARToolbox | 0 » -1 |
| 9.61 | IUPAC digitized pKa | 0 » -1 |
| 9.62 | QSARToolbox | 0 » -1 |
| 9.62 | QSARToolbox | 0 » -1 |
| 9.62 | IUPAC digitized pKa | 0 » -1 |
| 9.65 | IUPAC digitized pKa | 0 » -1 |
| 9.67 | AttenGpKa training set | 0 » -1 |
| 9.68 | IUPAC digitized pKa | 0 » -1 |
| 9.70 | QSARToolbox | 0 » -1 |
| 9.70 | QSARToolbox | 0 » -1 |
| 9.71 | QSARToolbox | 0 » -1 |
| 9.72 | IUPAC digitized pKa | 0 » -1 |
| 9.72 | QSARToolbox | 0 » -1 |
| 9.74 | IUPAC digitized pKa | 0 » -1 |
| 9.74 | OCHEM | 0 » -1 |
| 9.74 | OCHEM | 0 » -1 |
| 9.74 | Hunt | 0 » -1 |
| 9.74 | Hunt | 0 » -1 |
| 9.74 | OCHEM | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 10.06 | IUPAC digitized pKa | 0 » -1 |
| 10.41 | IUPAC digitized pKa | 0 » -1 |
| 11.68 | QSARToolbox | 0 » -1 |
| 11.70 | QSARToolbox | 0 » -1 |