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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL280563
CHEMBL280563
Compound Name
ChEMBL Synonyms 2S,1'S,2'S)-2-(Carboxycyclopropyl)Glycine
Max Phase 0
Trade Names
Molecular Formula C6H9NO4

Additional synonyms for CHEMBL280563 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O
Standard InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8 ...
Download InChI
Standard InChI Key GZOVEPYOCJWRFC-HZLVTQRSSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL280563

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
159.1 159.0532 -3.51 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 -.9 -4.4 0 11 0.4

Structural Alerts

There are 2 structural alerts for CHEMBL280563. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZOVEPYOCJWRFC-HZLVTQRSSA-N
PubChem SID: 50104372 SID: 50104373 SID: 90341720

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL280563



BindingDB 50034504
eMolecules 535887 36500527
Guide to Pharmacology 1368
IBM Patent System BB30FEF4324585A6AF2F88890A1DBB83
MolPort MolPort-003-940-678
Nikkaji J343.935F
PubChem 5310956
PubChem: Thomson Pharma 15120273
SureChEMBL SCHEMBL664330
ZINC ZINC000002568218

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