Molecule ID: mol5322

SMILES: NCC(=O)N[C@@H](CC(N)=O)C(=O)O

InChI: InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)/t3-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.82 IUPAC digitized pKa 1 » 0
2.94 QSARToolbox 1 » 0
2.94 IUPAC digitized pKa 1 » 0
2.94 IUPAC digitized pKa 1 » 0
2.94 IUPAC digitized pKa 1 » 0
2.94 IUPAC digitized pKa 1 » 0
2.95 IUPAC digitized pKa 1 » 0
2.95 IUPAC digitized pKa 1 » 0
2.95 IUPAC digitized pKa 1 » 0
2.96 IUPAC digitized pKa 1 » 0
2.96 IUPAC digitized pKa 1 » 0
2.96 QSARToolbox 1 » 0
2.97 IUPAC digitized pKa 1 » 0
8.44 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization