Molecule ID: mol5236
SMILES: C[C@H](N)C(=O)N[C@@H](C)C(=O)O
InChI: InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | IUPAC digitized pKa | 1 » 0 |
| 3.12 | IUPAC digitized pKa | 1 » 0 |
| 3.12 | IUPAC digitized pKa | 1 » 0 |
| 3.12 | OCHEM | 1 » 0 |
| 3.12 | OCHEM | 1 » 0 |
| 3.14 | IUPAC digitized pKa | 1 » 0 |
| 3.22 | IUPAC digitized pKa | 1 » 0 |
| 3.22 | IUPAC digitized pKa | 1 » 0 |
| 3.28 | QSARToolbox | 1 » 0 |
| 3.28 | IUPAC digitized pKa | 1 » 0 |
| 3.30 | QSARToolbox | 1 » 0 |
| 3.30 | IUPAC digitized pKa | 1 » 0 |
| 3.30 | IUPAC digitized pKa | 1 » 0 |
| 3.30 | AttenGpKa training set | 1 » 0 |
| 7.93 | QSARToolbox | 0 » -1 |
| 7.93 | IUPAC digitized pKa | 0 » -1 |
| 8.01 | IUPAC digitized pKa | 0 » -1 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |
| 8.14 | IUPAC digitized pKa | 0 » -1 |
| 8.14 | IUPAC digitized pKa | 0 » -1 |
| 8.14 | AttenGpKa training set | 0 » -1 |
| 8.14 | QSARToolbox | 0 » -1 |
| 8.30 | IUPAC digitized pKa | 0 » -1 |
| 8.30 | IUPAC digitized pKa | 0 » -1 |
| 8.30 | OCHEM | 0 » -1 |
| 8.30 | OCHEM | 0 » -1 |
| 8.34 | IUPAC digitized pKa | 0 » -1 |
| 8.55 | IUPAC digitized pKa | 0 » -1 |
| 8.57 | IUPAC digitized pKa | 0 » -1 |
| 8.70 | IUPAC digitized pKa | 0 » -1 |