Molecule ID: mol5250
SMILES: C[C@H](O)[C@H](N)C(=O)O
InChI: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.09 | IUPAC digitized pKa | 1 » 0 |
| 2.09 | IUPAC digitized pKa | 1 » 0 |
| 2.11 | IUPAC digitized pKa | 1 » 0 |
| 2.11 | IUPAC digitized pKa | 1 » 0 |
| 2.11 | AttenGpKa training set | 1 » 0 |
| 2.14 | IUPAC digitized pKa | 1 » 0 |
| 2.18 | IUPAC digitized pKa | 1 » 0 |
| 2.18 | IUPAC digitized pKa | 1 » 0 |
| 8.52 | IUPAC digitized pKa | 0 » -1 |
| 8.80 | IUPAC digitized pKa | 0 » -1 |
| 9.01 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | AttenGpKa training set | 0 » -1 |
| 9.13 | IUPAC digitized pKa | 0 » -1 |
| 9.43 | IUPAC digitized pKa | 0 » -1 |
| 9.77 | IUPAC digitized pKa | 0 » -1 |