Molecule ID: mol5239
SMILES: C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O
InChI: InChI=1S/C12H24N4O4/c1-7(14)10(17)16-9(5-3-4-6-13)11(18)15-8(2)12(19)20/h7-9H,3-6,13-14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t7-,8-,9-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | IUPAC digitized pKa | 2 » 1 |
| 3.29 | IUPAC digitized pKa | 2 » 1 |
| 7.65 | IUPAC digitized pKa | 1 » 0 |
| 7.84 | IUPAC digitized pKa | 1 » 0 |
| 7.98 | IUPAC digitized pKa | 1 » 0 |
| 8.23 | IUPAC digitized pKa | 1 » 0 |
| 10.30 | IUPAC digitized pKa | 0 » -1 |
| 10.49 | IUPAC digitized pKa | 0 » -1 |
| 10.50 | IUPAC digitized pKa | 0 » -1 |
| 10.81 | IUPAC digitized pKa | 0 » -1 |