Molecule ID: mol5374
SMILES: NC(=O)CC[C@H](N)C(=O)NCC(=O)O
InChI: InChI=1S/C7H13N3O4/c8-4(1-2-5(9)11)7(14)10-3-6(12)13/h4H,1-3,8H2,(H2,9,11)(H,10,14)(H,12,13)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | IUPAC digitized pKa | 1 » 0 |
| 3.15 | QSARToolbox | 1 » 0 |
| 7.52 | IUPAC digitized pKa | 0 » -1 |