Molecule ID: mol5413
SMILES: CC(C)C[C@H](NC(=O)CN)C(=O)O
InChI: InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | QSARToolbox | 1 » 0 |
| 3.10 | IUPAC digitized pKa | 1 » 0 |
| 3.13 | QSARToolbox | 1 » 0 |
| 3.15 | IUPAC digitized pKa | 1 » 0 |
| 3.16 | IUPAC digitized pKa | 1 » 0 |
| 3.16 | IUPAC digitized pKa | 1 » 0 |
| 3.17 | IUPAC digitized pKa | 1 » 0 |
| 3.18 | IUPAC digitized pKa | 1 » 0 |
| 3.18 | QSARToolbox | 1 » 0 |
| 3.19 | IUPAC digitized pKa | 1 » 0 |
| 3.20 | IUPAC digitized pKa | 1 » 0 |
| 3.21 | IUPAC digitized pKa | 1 » 0 |
| 3.23 | IUPAC digitized pKa | 1 » 0 |
| 3.24 | QSARToolbox | 1 » 0 |
| 3.24 | IUPAC digitized pKa | 1 » 0 |
| 8.13 | QSARToolbox | 0 » -1 |
| 8.17 | IUPAC digitized pKa | 0 » -1 |
| 8.29 | QSARToolbox | 0 » -1 |
| 8.38 | QSARToolbox | 0 » -1 |
| 8.41 | IUPAC digitized pKa | 0 » -1 |
| 8.43 | AttenGpKa training set | 0 » -1 |