Molecule ID: mol37096
SMILES: C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O
InChI: InChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.27 | QSARToolbox | 1 » 0 |
| 8.79 | QSARToolbox | 0 » -1 |