Molecule ID: mol5362
SMILES: C[C@H](N)C(=O)NCC(=O)NCC(=O)O
InChI: InChI=1S/C7H13N3O4/c1-4(8)7(14)10-2-5(11)9-3-6(12)13/h4H,2-3,8H2,1H3,(H,9,11)(H,10,14)(H,12,13)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.19 | IUPAC digitized pKa | 1 » 0 |
| 3.19 | OCHEM | 1 » 0 |
| 3.19 | OCHEM | 1 » 0 |
| 3.30 | QSARToolbox | 1 » 0 |
| 3.36 | IUPAC digitized pKa | 1 » 0 |
| 8.05 | IUPAC digitized pKa | 0 » -1 |
| 8.15 | IUPAC digitized pKa | 0 » -1 |
| 8.15 | OCHEM | 0 » -1 |
| 8.15 | OCHEM | 0 » -1 |