Molecule ID: mol5320
SMILES: NC(=O)C[C@H](N)C(=O)O
InChI: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.98 | IUPAC digitized pKa | 1 » 0 |
| 2.02 | QSARToolbox | 2 » 1 |
| 2.02 | AttenGpKa training set | 2 » 1 |
| 2.08 | QSARToolbox | 1 » 0 |
| 2.09 | QSARToolbox | 1 » 0 |
| 2.11 | IUPAC digitized pKa | 1 » 0 |
| 2.14 | IUPAC digitized pKa | 1 » 0 |
| 2.14 | OCHEM | 1 » 0 |
| 2.14 | OCHEM | 1 » 0 |
| 2.14 | QSARToolbox | 1 » 0 |
| 2.17 | QSARToolbox | 1 » 0 |
| 2.21 | IUPAC digitized pKa | 1 » 0 |
| 2.28 | QSARToolbox | 1 » 0 |
| 2.40 | QSARToolbox | 1 » 0 |
| 5.03 | QSARToolbox | 1 » 0 |
| 8.69 | QSARToolbox | 0 » -1 |
| 8.71 | IUPAC digitized pKa | 0 » -1 |
| 8.72 | IUPAC digitized pKa | 0 » -1 |
| 8.72 | IUPAC digitized pKa | 0 » -1 |
| 8.72 | OCHEM | 0 » -1 |
| 8.72 | OCHEM | 0 » -1 |
| 8.79 | QSARToolbox | 0 » -1 |
| 8.80 | AttenGpKa training set | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.82 | IUPAC digitized pKa | 0 » -1 |
| 8.84 | IUPAC digitized pKa | 0 » -1 |
| 8.85 | IUPAC digitized pKa | 0 » -1 |
| 8.85 | QSARToolbox | 0 » -1 |
| 8.85 | QSARToolbox | 0 » -1 |
| 8.86 | QSARToolbox | 0 » -1 |
| 8.88 | IUPAC digitized pKa | 0 » -1 |
| 8.92 | IUPAC digitized pKa | 0 » -1 |
| 9.13 | IUPAC digitized pKa | 0 » -1 |
| 11.85 | QSARToolbox | -1 » -2 |