Molecule ID: mol19437
SMILES: CC(=O)N[C@@H]1CNC[C@H](C(=O)O)C1
InChI: InChI=1S/C8H14N2O3/c1-5(11)10-7-2-6(8(12)13)3-9-4-7/h6-7,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Baltruschat ChEMBL | 2 » 1 |
| 3.00 | QSARToolbox | 2 » 1 |
| 8.60 | Baltruschat ChEMBL | 0 » -1 |