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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1555263
CHEMBL1555263
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H9NO4

Additional synonyms for CHEMBL1555263 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O
Standard InChI InChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8 ...
Download InChI
Standard InChI Key GGMYWPBNZXRMME-MYNUVTBMSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1555263

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 -0.74 2 100.62 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.05 9.72 -1.02 -4.52 0 11 0.49

Structural Alerts

There are 2 structural alerts for CHEMBL1555263. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GGMYWPBNZXRMME-MYNUVTBMSA-N
PubChem SID: 26751667

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1555263



eMolecules 1934082
IBM Patent System 07C1A219B037D7BDB0C2825AA19C334D
Mcule MCULE-6569163998
MolPort MolPort-003-983-504
Nikkaji J339.304F
SureChEMBL SCHEMBL1063416
ZINC ZINC000100453228

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