Molecule ID: mol12643
SMILES: O=C(O)[C@@H]1CCC[C@H](C(=O)O)N1
InChI: InChI=1S/C7H11NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.87 | QSARToolbox | 1 » 0 |
| 9.92 | Datawarrior | -1 » -2 |