Molecule ID: mol5357
SMILES: CCOC(=O)CC[C@H](N)C(=O)O
InChI: InChI=1S/C7H13NO4/c1-2-12-6(9)4-3-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | IUPAC digitized pKa | 1 » 0 |
| 2.15 | QSARToolbox | 1 » 0 |
| 8.75 | QSARToolbox | 0 » -1 |
| 9.19 | QSARToolbox | 0 » -1 |
| 9.19 | IUPAC digitized pKa | 0 » -1 |