Molecule ID: mol8527

SMILES: N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI: InChI=1S/C8H14N2O6/c9-4(3-11)7(14)10-5(8(15)16)1-2-6(12)13/h4-5,11H,1-3,9H2,(H,10,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.94 IUPAC digitized pKa 1 » 0
4.34 IUPAC digitized pKa 0 » -1
7.42 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization