Molecule ID: mol5241
SMILES: C[C@H](NC(=O)CN)C(=O)O
InChI: InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.97 | IUPAC digitized pKa | 1 » 0 |
| 3.01 | IUPAC digitized pKa | 1 » 0 |
| 3.03 | QSARToolbox | 1 » 0 |
| 3.14 | IUPAC digitized pKa | 1 » 0 |
| 3.14 | IUPAC digitized pKa | 1 » 0 |
| 3.14 | IUPAC digitized pKa | 1 » 0 |
| 3.15 | IUPAC digitized pKa | 1 » 0 |
| 3.15 | IUPAC digitized pKa | 1 » 0 |
| 3.16 | IUPAC digitized pKa | 1 » 0 |
| 3.17 | IUPAC digitized pKa | 1 » 0 |
| 3.17 | QSARToolbox | 1 » 0 |
| 3.17 | IUPAC digitized pKa | 1 » 0 |
| 3.18 | IUPAC digitized pKa | 1 » 0 |
| 3.19 | IUPAC digitized pKa | 1 » 0 |
| 3.20 | IUPAC digitized pKa | 1 » 0 |
| 3.31 | QSARToolbox | 1 » 0 |
| 3.31 | IUPAC digitized pKa | 1 » 0 |
| 3.34 | QSARToolbox | 1 » 0 |
| 3.34 | IUPAC digitized pKa | 1 » 0 |
| 8.07 | QSARToolbox | 0 » -1 |
| 8.19 | QSARToolbox | 0 » -1 |
| 8.19 | IUPAC digitized pKa | 0 » -1 |
| 8.21 | IUPAC digitized pKa | 0 » -1 |
| 8.23 | QSARToolbox | 0 » -1 |
| 8.23 | IUPAC digitized pKa | 0 » -1 |
| 8.28 | IUPAC digitized pKa | 0 » -1 |
| 8.40 | IUPAC digitized pKa | 0 » -1 |
| 8.44 | AttenGpKa training set | 0 » -1 |
| 9.01 | IUPAC digitized pKa | 0 » -1 |