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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL334160
CHEMBL334160
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H11NO4

Additional synonyms for CHEMBL334160 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1[C@H]([C@H](N)C(=O)O)[C@H]1C(=O)O
Standard InChI InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H ...
Download InChI
Standard InChI Key ZLKKUEAUAXFRAV-STGXQOJASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL334160

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
173.2 173.0688 -3.25 3 100.62 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.4 9.83 -.37 -3.86 0 12 0.42

Structural Alerts

There are 2 structural alerts for CHEMBL334160. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZLKKUEAUAXFRAV-STGXQOJASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL334160



BindingDB 50138781
IBM Patent System 89F75C062B233C42DB89132CFED4420F
Nikkaji J2.600.203F
PubChem 10176324
PubChem: Thomson Pharma 15171211 15388907
SureChEMBL SCHEMBL7140374

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