Molecule ID: mol5242
SMILES: C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)O
InChI: InChI=1S/C8H15N3O4/c1-4(10-6(12)3-9)7(13)11-5(2)8(14)15/h4-5H,3,9H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | IUPAC digitized pKa | 1 » 0 |
| 3.38 | IUPAC digitized pKa | 1 » 0 |
| 3.38 | QSARToolbox | 1 » 0 |
| 8.10 | IUPAC digitized pKa | 0 » -1 |
| 8.17 | IUPAC digitized pKa | 0 » -1 |