Molecule ID: mol5414
SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)O
InChI: InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.08 | QSARToolbox | 1 » 0 |
| 3.08 | IUPAC digitized pKa | 1 » 0 |
| 7.45 | QSARToolbox | 0 » -1 |
| 7.45 | IUPAC digitized pKa | 0 » -1 |