Molecule ID: mol19438
SMILES: CC(=O)N[C@@H]1CCNC[C@@H]1C(=O)O
InChI: InChI=1S/C8H14N2O3/c1-5(11)10-7-2-3-9-4-6(7)8(12)13/h6-7,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | QSARToolbox | 1 » 0 |
| 3.20 | Baltruschat ChEMBL | 1 » 0 |
| 9.70 | Baltruschat ChEMBL | 0 » -1 |