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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL140197
CHEMBL140197
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H9NO5

Additional synonyms for CHEMBL140197 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(=O)O)C(=O)O
Standard InChI InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,( ...
Download InChI
Standard InChI Key LGSORWLWDBCUMM-NTAGLIMJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL140197

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
175.1 175.0481 -1.91 3 120.85 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.4 9.83 -1.11 -4.6 0 12 0.4

Structural Alerts

There are 2 structural alerts for CHEMBL140197. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LGSORWLWDBCUMM-NTAGLIMJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL140197



BindingDB 50138784
PubChem 44361401

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/LGSORWLWDBCUMM-NTAGLIMJSA-N spacer
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