Molecule ID: mol5238
SMILES: C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O
InChI: InChI=1S/C12H22N4O5/c1-5(13)9(17)14-6(2)10(18)15-7(3)11(19)16-8(4)12(20)21/h5-8H,13H2,1-4H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21)/t5-,6-,7-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.22 | IUPAC digitized pKa | 1 » 0 |
| 3.24 | IUPAC digitized pKa | 1 » 0 |
| 3.42 | IUPAC digitized pKa | 1 » 0 |
| 3.42 | IUPAC digitized pKa | 1 » 0 |
| 3.42 | QSARToolbox | 1 » 0 |
| 7.93 | IUPAC digitized pKa | 0 » -1 |
| 7.94 | IUPAC digitized pKa | 0 » -1 |
| 7.94 | QSARToolbox | 0 » -1 |
| 7.99 | IUPAC digitized pKa | 0 » -1 |
| 7.99 | IUPAC digitized pKa | 0 » -1 |