Molecule ID: mol5358
SMILES: NC(=O)CC[C@H](N)C(=O)O
InChI: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.16 | QSARToolbox | 2 » 1 |
| 2.17 | IUPAC digitized pKa | 2 » 1 |
| 2.17 | IUPAC digitized pKa | 2 » 1 |
| 2.17 | OCHEM | 2 » 1 |
| 2.17 | OCHEM | 2 » 1 |
| 2.17 | AttenGpKa training set | 2 » 1 |
| 9.01 | IUPAC digitized pKa | 0 » -1 |
| 9.08 | QSARToolbox | 0 » -1 |
| 9.13 | IUPAC digitized pKa | 0 » -1 |
| 9.13 | OCHEM | 0 » -1 |
| 9.13 | OCHEM | 0 » -1 |
| 9.13 | AttenGpKa training set | 0 » -1 |
| 9.28 | IUPAC digitized pKa | 0 » -1 |
| 9.34 | IUPAC digitized pKa | 0 » -1 |