BETAINE Next Previous

ChEMBL ID CHEMBL95889
PubChem CID 153685060
DrugBank Accession Number DB04455
ClinicalTrials BETAINE
Molecular Formula C5H12NO2+
Inchikey KWIUHFFTVRNATP-UHFFFAOYSA-O
Cas Number 107-43-7

Smiles
C[N+](C)(C)CC(=O)O

Synonyms
Betaine, BETAINE, Betaine, anhydrous, Cystadane, CYSTADANE, FEMA NO. 4223, NSC-166511

Libraries
O'Brien

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species ACID
Molecular Properties
Molecular Weight 118.16
Rotatable Bonds 2
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP -0.22
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