Molecule ID: mol5237
SMILES: C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O
InChI: InChI=1S/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.31 | IUPAC digitized pKa | 1 » 0 |
| 3.37 | IUPAC digitized pKa | 1 » 0 |
| 3.37 | IUPAC digitized pKa | 1 » 0 |
| 3.39 | IUPAC digitized pKa | 1 » 0 |
| 3.39 | IUPAC digitized pKa | 1 » 0 |
| 3.39 | QSARToolbox | 1 » 0 |
| 8.03 | QSARToolbox | 0 » -1 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |
| 8.05 | IUPAC digitized pKa | 0 » -1 |
| 8.06 | IUPAC digitized pKa | 0 » -1 |
| 8.06 | IUPAC digitized pKa | 0 » -1 |
| 8.13 | IUPAC digitized pKa | 0 » -1 |