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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL433238
CHEMBL433238
Compound Name
ChEMBL Synonyms 2-Amino-Hexanedioic Acid
Max Phase 0
Trade Names
Molecular Formula C6H11NO4

Additional synonyms for CHEMBL433238 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(CCCC(=O)O)C(=O)O
Standard InChI InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8, ...
Download InChI
Standard InChI Key OYIFNHCXNCRBQI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL433238

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
161.2 161.0688 -3 5 100.62 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
2.49 9.79 -.66 -4.16 0 11 0.4

Structural Alerts

There are 3 structural alerts for CHEMBL433238. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OYIFNHCXNCRBQI-UHFFFAOYSA-N
Wikipedia Alpha-Aminoadipic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL433238



Brenda 11772 5931 3176 32750 43091 77421 96433 113344
ChEBI 37024
eMolecules 533723
Human Metabolome Database HMDB0000510
IBM Patent System 4A2F1611D8C8BA6E74B7B899FF444988
LipidMaps LMFA01170098
Mcule MCULE-7434229402
Metabolights MTBLC37024
MolPort MolPort-001-510-468
Nikkaji J38.125J
NMRShiftDB 10016974
PubChem 59366488 469
PubChem: Thomson Pharma 15194877
SureChEMBL SCHEMBL41328

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