Molecule ID: mol5467
SMILES: C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O
InChI: InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.04 | QSARToolbox | 1 » 0 |
| 3.04 | IUPAC digitized pKa | 1 » 0 |
| 3.04 | Datawarrior | 1 » 0 |
| 8.38 | IUPAC digitized pKa | 0 » -1 |
| 8.38 | Datawarrior | 0 » -1 |