Molecule ID: mol13294
SMILES: CCOC(=O)[C@H]1CC(=O)N[C@@H]1C(=O)O
InChI: InChI=1S/C8H11NO5/c1-2-14-8(13)4-3-5(10)9-6(4)7(11)12/h4,6H,2-3H2,1H3,(H,9,10)(H,11,12)/t4-,6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Datawarrior | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |