Molecule ID: mol5335
SMILES: NOCC[C@H](N)C(=O)O
InChI: InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | IUPAC digitized pKa | 2 » 1 |
| 3.70 | IUPAC digitized pKa | 1 » 0 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |