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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL269574
CHEMBL269574
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H16N2O5

Additional synonyms for CHEMBL269574 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(CCC(=O)NCCCC(=O)O)C(=O)O
Standard InChI InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h ...
Download InChI
Standard InChI Key MKYPKZSGLSOGLL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL269574

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
232.2 232.1059 -3.83 8 129.72 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.22 9.34 -1.43 -4.93 0 16 0.32

Structural Alerts

There are 4 structural alerts for CHEMBL269574. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MKYPKZSGLSOGLL-UHFFFAOYSA-N
Wikipedia 4-(%CE%B3-Glutamylamino)butanoic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL269574



Human Metabolome Database HMDB0029393
PubChem 355553
SureChEMBL SCHEMBL14332215

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