Molecule ID: mol5251
SMILES: CO[C@@H](C)[C@H](N)C(=O)O
InChI: InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.92 | QSARToolbox | 1 » 0 |
| 1.92 | IUPAC digitized pKa | 1 » 0 |
| 8.90 | IUPAC digitized pKa | 0 » -1 |