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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL334095
CHEMBL334095
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H9NO7

Additional synonyms for CHEMBL334095 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O
Standard InChI InChI=1S/C6H9NO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1, ...
Download InChI
Standard InChI Key WRMHNMFAKPXIAY-CVYQJGLWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL334095

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
207.1 207.0379 -4.74 5 158.15 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 0 8 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2 9.57 -.6 -5.1 0 14 0.3

Structural Alerts

There are 5 structural alerts for CHEMBL334095. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WRMHNMFAKPXIAY-CVYQJGLWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL334095



BindingDB 50066696
PubChem 22790618

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