Molecule ID: mol5326
SMILES: N[C@@H](CC(=O)O)C(=O)O
InChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.68 | IUPAC digitized pKa | 1 » 0 |
| 1.91 | IUPAC digitized pKa | 1 » 0 |
| 1.92 | IUPAC digitized pKa | 1 » 0 |
| 1.94 | IUPAC digitized pKa | 1 » 0 |
| 1.94 | QSARToolbox | 1 » 0 |
| 1.95 | IUPAC digitized pKa | 1 » 0 |
| 1.95 | IUPAC digitized pKa | 1 » 0 |
| 1.98 | QSARToolbox | 1 » 0 |
| 1.99 | IUPAC digitized pKa | 1 » 0 |
| 1.99 | OCHEM | 1 » 0 |
| 1.99 | OCHEM | 1 » 0 |
| 1.99 | AttenGpKa training set | 1 » 0 |
| 2.00 | QSARToolbox | 1 » 0 |
| 2.01 | IUPAC digitized pKa | 1 » 0 |
| 2.01 | IUPAC digitized pKa | 1 » 0 |
| 2.04 | IUPAC digitized pKa | 1 » 0 |
| 2.05 | QSARToolbox | 1 » 0 |
| 2.05 | IUPAC digitized pKa | 1 » 0 |
| 2.05 | IUPAC digitized pKa | 1 » 0 |
| 2.08 | QSARToolbox | 1 » 0 |
| 2.09 | QSARToolbox | 1 » 0 |
| 2.12 | IUPAC digitized pKa | 1 » 0 |
| 3.63 | IUPAC digitized pKa | 0 » -1 |
| 3.66 | QSARToolbox | 0 » -1 |
| 3.68 | QSARToolbox | 0 » -1 |
| 3.68 | QSARToolbox | 0 » -1 |
| 3.69 | IUPAC digitized pKa | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 3.79 | IUPAC digitized pKa | 0 » -1 |
| 3.80 | IUPAC digitized pKa | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.82 | IUPAC digitized pKa | 0 » -1 |
| 3.83 | IUPAC digitized pKa | 0 » -1 |
| 3.87 | QSARToolbox | 0 » -1 |
| 3.87 | IUPAC digitized pKa | 0 » -1 |
| 3.87 | IUPAC digitized pKa | 0 » -1 |
| 3.88 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 3.90 | AttenGpKa training set | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.92 | IUPAC digitized pKa | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |
| 3.94 | IUPAC digitized pKa | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 3.97 | IUPAC digitized pKa | 0 » -1 |
| 4.01 | IUPAC digitized pKa | 0 » -1 |
| 4.02 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.53 | QSARToolbox | 0 » -1 |
| 9.51 | IUPAC digitized pKa | -1 » -2 |
| 9.56 | QSARToolbox | -1 » -2 |
| 9.57 | IUPAC digitized pKa | -1 » -2 |
| 9.62 | QSARToolbox | -1 » -2 |
| 9.63 | IUPAC digitized pKa | -1 » -2 |
| 9.67 | OCHEM | -1 » -2 |
| 9.74 | IUPAC digitized pKa | -1 » -2 |
| 9.77 | QSARToolbox | -1 » -2 |
| 9.82 | QSARToolbox | -1 » -2 |
| 9.84 | IUPAC digitized pKa | -1 » -2 |
| 9.85 | QSARToolbox | -1 » -2 |
| 9.86 | IUPAC digitized pKa | -1 » -2 |
| 9.87 | IUPAC digitized pKa | -1 » -2 |
| 9.90 | IUPAC digitized pKa | -1 » -2 |
| 9.90 | OCHEM | -1 » -2 |
| 9.90 | OCHEM | -1 » -2 |
| 9.93 | IUPAC digitized pKa | -1 » -2 |
| 9.95 | IUPAC digitized pKa | -1 » -2 |
| 9.98 | QSARToolbox | -1 » -2 |
| 10.00 | QSARToolbox | -1 » -2 |
| 10.00 | AttenGpKa training set | -1 » -2 |
| 10.00 | IUPAC digitized pKa | -1 » -2 |
| 10.04 | IUPAC digitized pKa | -1 » -2 |
| 10.30 | IUPAC digitized pKa | -1 » -2 |
| 10.41 | IUPAC digitized pKa | -1 » -2 |
| 10.60 | IUPAC digitized pKa | -1 » -2 |
| 11.92 | QSARToolbox | -1 » -2 |
| 12.12 | QSARToolbox | -1 » -2 |