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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2164243
CHEMBL2164243
Compound Name
ChEMBL Synonyms N-(Dimethylamino)Succinamic Acid
Max Phase 0
Trade Names
Molecular Formula C6H12N2O3

Additional synonyms for CHEMBL2164243 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)NC(=O)CCC(=O)O
Standard InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H, ...
Download InChI
Standard InChI Key NOQGZXFMHARMLW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2164243

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
160.2 160.0848 -1.07 4 69.63 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.59 3.41 -2.16 -4.52 0 11 0.51

Structural Alerts

There are 6 structural alerts for CHEMBL2164243. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NOQGZXFMHARMLW-UHFFFAOYSA-N
PubChem SID: 144209397 SID: 144211236 SID: 17389951 SID: 174006369 SID: 26752960

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2164243



ACToR 1596-84-5
BindingDB 50395076
Brenda 109208
ChEBI 4312
eMolecules 508637
EPA CompTox Dashboard DTXSID9020370
FDA SRS F6KF33M5UB
Guide to Pharmacology 7025
IBM Patent System 82EB719F5251EF9FE2A46835A4475962
KEGG Ligand C10996
LINCS LSM-6329
Mcule MCULE-6532969482
MolPort MolPort-002-927-289
Nikkaji J1.772H
PDBe DZA
PubChem 72200802 15331
PubChem: Thomson Pharma 15091185
SureChEMBL SCHEMBL50347
ZINC ZINC000001532111

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