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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1182
CHEMBL1182
Compound Name GLYCINEBETAINE
ChEMBL Synonyms 2-(Trimethylammonio)Acetate
Max Phase 0
Trade Names
Molecular Formula C5H11NO2

Additional synonyms for CHEMBL1182 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[N+](C)(C)CC(=O)[O-]
Standard InChI InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
Standard InChI Key KWIUHFFTVRNATP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1182

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
117.2 117.079 -1.56 2 40.13 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.8 - -3.23 -2.63 0 8 0.41

Structural Alerts

There are 3 structural alerts for CHEMBL1182. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KWIUHFFTVRNATP-UHFFFAOYSA-N
PubChem SID: 144207060 SID: 144211476
Wikipedia Trimethylglycine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1182



ACToR 107-43-7
BindingDB 50103520
Brenda 105587 137118 713 56528 106209 1974 105588 21728 106210 15850
ChEBI 17750
ChemicalBook CB0760102
DrugBank DB06756
DrugCentral 347
eMolecules 481690
EPA CompTox Dashboard DTXSID8022666
FDA SRS 3SCV180C9W
Guide to Pharmacology 4550
Human Metabolome Database HMDB0000043
IBM Patent System 46E0AF2417D2A5A5D7286B3C1746403B
KEGG Ligand C00719
Mcule MCULE-8745470661
Metabolights MTBLC17750
MolPort MolPort-003-926-438
NMRShiftDB 10009018
PubChem 247
PubChem: Thomson Pharma 15297109
Recon glyb
Rhea 17750
SureChEMBL SCHEMBL7739

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