Molecule ID: mol5471
SMILES: NCC(=O)N[C@@H](CO)C(=O)O
InChI: InChI=1S/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11)/t3-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.92 | IUPAC digitized pKa | 1 » 0 |
| 2.98 | IUPAC digitized pKa | 1 » 0 |
| 2.98 | IUPAC digitized pKa | 1 » 0 |
| 2.98 | IUPAC digitized pKa | 1 » 0 |
| 2.98 | IUPAC digitized pKa | 1 » 0 |
| 2.98 | IUPAC digitized pKa | 1 » 0 |
| 2.99 | IUPAC digitized pKa | 1 » 0 |
| 2.99 | IUPAC digitized pKa | 1 » 0 |
| 2.99 | IUPAC digitized pKa | 1 » 0 |
| 3.00 | IUPAC digitized pKa | 1 » 0 |
| 3.01 | IUPAC digitized pKa | 1 » 0 |
| 8.10 | IUPAC digitized pKa | 0 » -1 |
| 8.23 | AttenGpKa training set | 0 » -1 |
| 8.38 | IUPAC digitized pKa | 0 » -1 |