Molecule ID: mol749
SMILES: C[C@H](N)C(=O)O
InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.19 | IUPAC digitized pKa | 1 » 0 |
| 2.24 | IUPAC digitized pKa | 1 » 0 |
| 2.27 | IUPAC digitized pKa | 1 » 0 |
| 2.29 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 2.33 | IUPAC digitized pKa | 1 » 0 |
| 2.33 | IUPAC digitized pKa | 1 » 0 |
| 2.33 | IUPAC digitized pKa | 1 » 0 |
| 2.33 | IUPAC digitized pKa | 1 » 0 |
| 2.34 | QSARToolbox | 1 » 0 |
| 2.34 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | Hunt | 1 » 0 |
| 2.35 | Hunt | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | IUPAC digitized pKa | 1 » 0 |
| 2.37 | IUPAC digitized pKa | 1 » 0 |
| 2.37 | IUPAC digitized pKa | 1 » 0 |
| 2.38 | IUPAC digitized pKa | 1 » 0 |
| 2.39 | IUPAC digitized pKa | 1 » 0 |
| 2.39 | QSARToolbox | 1 » 0 |
| 2.40 | IUPAC digitized pKa | 1 » 0 |
| 2.40 | IUPAC digitized pKa | 1 » 0 |
| 2.40 | IUPAC digitized pKa | 1 » 0 |
| 2.43 | IUPAC digitized pKa | 1 » 0 |
| 2.43 | IUPAC digitized pKa | 1 » 0 |
| 2.44 | IUPAC digitized pKa | 1 » 0 |
| 2.47 | IUPAC digitized pKa | 1 » 0 |
| 2.48 | QSARToolbox | 1 » 0 |
| 2.61 | AttenGpKa training set | 1 » 0 |
| 9.26 | IUPAC digitized pKa | 0 » -1 |
| 9.33 | IUPAC digitized pKa | 0 » -1 |
| 9.38 | IUPAC digitized pKa | 0 » -1 |
| 9.41 | IUPAC digitized pKa | 0 » -1 |
| 9.48 | IUPAC digitized pKa | 0 » -1 |
| 9.49 | IUPAC digitized pKa | 0 » -1 |
| 9.51 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | QSARToolbox | 0 » -1 |
| 9.55 | IUPAC digitized pKa | 0 » -1 |
| 9.57 | IUPAC digitized pKa | 0 » -1 |
| 9.61 | IUPAC digitized pKa | 0 » -1 |
| 9.62 | IUPAC digitized pKa | 0 » -1 |
| 9.64 | QSARToolbox | 0 » -1 |
| 9.67 | QSARToolbox | 0 » -1 |
| 9.72 | AttenGpKa training set | 0 » -1 |
| 9.72 | QSARToolbox | 0 » -1 |
| 9.74 | IUPAC digitized pKa | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 9.77 | IUPAC digitized pKa | 0 » -1 |
| 9.78 | QSARToolbox | 0 » -1 |
| 9.78 | IUPAC digitized pKa | 0 » -1 |
| 9.86 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | OCHEM | 0 » -1 |
| 9.87 | OCHEM | 0 » -1 |
| 9.89 | IUPAC digitized pKa | 0 » -1 |
| 9.90 | IUPAC digitized pKa | 0 » -1 |
| 9.92 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | OCHEM | 0 » -1 |
| 10.00 | Hunt | 0 » -1 |
| 10.00 | Hunt | 0 » -1 |
| 10.01 | IUPAC digitized pKa | 0 » -1 |
| 10.01 | IUPAC digitized pKa | 0 » -1 |
| 10.04 | IUPAC digitized pKa | 0 » -1 |
| 10.23 | IUPAC digitized pKa | 0 » -1 |
| 10.29 | IUPAC digitized pKa | 0 » -1 |
| 10.30 | IUPAC digitized pKa | 0 » -1 |
| 10.51 | IUPAC digitized pKa | 0 » -1 |
| 10.57 | IUPAC digitized pKa | 0 » -1 |
| 10.59 | IUPAC digitized pKa | 0 » -1 |
| 12.02 | QSARToolbox | 0 » -1 |