Molecule ID: mol5409
SMILES: CC[C@H](C)[C@H](N)C(=O)O
InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.31 | Datawarrior | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | OCHEM | 1 » 0 |
| 2.32 | OCHEM | 1 » 0 |
| 2.33 | IUPAC digitized pKa | 1 » 0 |
| 2.34 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | AttenGpKa training set | 1 » 0 |
| 2.37 | IUPAC digitized pKa | 1 » 0 |
| 2.66 | IUPAC digitized pKa | 1 » 0 |
| 9.16 | IUPAC digitized pKa | 0 » -1 |
| 9.44 | IUPAC digitized pKa | 0 » -1 |
| 9.68 | AttenGpKa training set | 0 » -1 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |
| 9.74 | IUPAC digitized pKa | 0 » -1 |
| 9.76 | IUPAC digitized pKa | 0 » -1 |
| 9.76 | OCHEM | 0 » -1 |
| 9.76 | OCHEM | 0 » -1 |
| 9.77 | Datawarrior | 0 » -1 |
| 9.79 | IUPAC digitized pKa | 0 » -1 |
| 9.86 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | IUPAC digitized pKa | 0 » -1 |
| 10.34 | QSARToolbox | 0 » -1 |
| 10.46 | IUPAC digitized pKa | 0 » -1 |
| 10.53 | QSARToolbox | 0 » -1 |