Molecule ID: mol5337
SMILES: NC(=O)NCCC[C@H](N)C(=O)O
InChI: InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.43 | IUPAC digitized pKa | 1 » 0 |
| 2.43 | QSARToolbox | 1 » 0 |
| 9.41 | QSARToolbox | 0 » -1 |
| 9.41 | IUPAC digitized pKa | 0 » -1 |
| 9.69 | QSARToolbox | 0 » -1 |
| 9.69 | IUPAC digitized pKa | 0 » -1 |
| 9.71 | IUPAC digitized pKa | 0 » -1 |