Molecule ID: mol8597
SMILES: COC(=O)[C@@H](N)C(C)C
InChI: InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.85 | IUPAC digitized pKa | 1 » 0 |
| 7.16 | IUPAC digitized pKa | 1 » 0 |
| 7.49 | IUPAC digitized pKa | 1 » 0 |