Molecule ID: mol5356
SMILES: CCOC(=O)[C@@H](N)CCC(=O)O
InChI: InChI=1S/C7H13NO4/c1-2-12-7(11)5(8)3-4-6(9)10/h5H,2-4,8H2,1H3,(H,9,10)/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | IUPAC digitized pKa | 1 » 0 |
| 3.85 | QSARToolbox | 1 » 0 |
| 7.84 | IUPAC digitized pKa | 0 » -1 |
| 7.84 | QSARToolbox | 0 » -1 |