Molecule ID: mol5412
SMILES: CC(C)C[C@H](N)C(=O)O
InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | OCHEM | 1 » 0 |
| 2.33 | IUPAC digitized pKa | 1 » 0 |
| 2.33 | IUPAC digitized pKa | 1 » 0 |
| 2.33 | OCHEM | 1 » 0 |
| 2.33 | OCHEM | 1 » 0 |
| 2.33 | IUPAC digitized pKa | 1 » 0 |
| 2.34 | AttenGpKa training set | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.37 | QSARToolbox | 1 » 0 |
| 2.38 | OCHEM | 1 » 0 |
| 2.38 | Baltruschat ChEMBL | 1 » 0 |
| 2.38 | IUPAC digitized pKa | 1 » 0 |
| 2.39 | IUPAC digitized pKa | 1 » 0 |
| 2.44 | QSARToolbox | 1 » 0 |
| 3.62 | QSARToolbox | 1 » 0 |
| 3.75 | QSARToolbox | 1 » 0 |
| 4.22 | QSARToolbox | 1 » 0 |
| 9.14 | IUPAC digitized pKa | 0 » -1 |
| 9.43 | IUPAC digitized pKa | 0 » -1 |
| 9.54 | IUPAC digitized pKa | 0 » -1 |
| 9.60 | OCHEM | 0 » -1 |
| 9.61 | OCHEM | 0 » -1 |
| 9.61 | Baltruschat ChEMBL | 0 » -1 |
| 9.62 | QSARToolbox | 0 » -1 |
| 9.68 | IUPAC digitized pKa | 0 » -1 |
| 9.69 | AttenGpKa training set | 0 » -1 |
| 9.74 | IUPAC digitized pKa | 0 » -1 |
| 9.74 | IUPAC digitized pKa | 0 » -1 |
| 9.74 | OCHEM | 0 » -1 |
| 9.74 | OCHEM | 0 » -1 |
| 9.74 | IUPAC digitized pKa | 0 » -1 |
| 9.77 | QSARToolbox | 0 » -1 |
| 9.92 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | IUPAC digitized pKa | 0 » -1 |
| 10.45 | IUPAC digitized pKa | 0 » -1 |