Molecule ID: mol34052
SMILES: CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChI: InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.35 | QSARToolbox | 1 » 0 |
| 3.53 | QSARToolbox | 1 » 0 |
| 8.31 | QSARToolbox | 0 » -1 |