Molecule ID: mol5424
SMILES: CCC[C@H](N)C(=O)O
InChI: InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.31 | IUPAC digitized pKa | 1 » 0 |
| 2.31 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 2.34 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | AttenGpKa training set | 1 » 0 |
| 2.38 | IUPAC digitized pKa | 1 » 0 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 9.49 | IUPAC digitized pKa | 0 » -1 |
| 9.78 | IUPAC digitized pKa | 0 » -1 |
| 9.79 | AttenGpKa training set | 0 » -1 |
| 9.81 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 10.15 | IUPAC digitized pKa | 0 » -1 |
| 10.51 | IUPAC digitized pKa | 0 » -1 |