betaine

Ligand id: 4550

Name: betaine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 40.13
Molecular weight 117.08
XLogP -1.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
2-(trimethylazaniumyl)acetate
International Nonproprietary Names
INN number INN
1506 cloral betaine
Synonyms
glycine betaine | N,N,N-trimethylammonioacetate | trimethylglycine
Database Links
CAS Registry No. 107-43-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1182
PubChem CID 247
Search Google for chemical match using the InChIKey KWIUHFFTVRNATP-UHFFFAOYSA-N
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Search PubMed clinical trials cloral betaine
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Search UniChem for chemical match using the InChIKey KWIUHFFTVRNATP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KWIUHFFTVRNATP
Wikipedia Betaine