General
Preferred name
PD098599
Synonyms
γ-Butyrobetaine (chloride) ()
Deoxycarnitine (chloride) ()
¦Ã-Butyrobetaine hydrochloride ()
(3-Carboxypropyl)trimethylammonium chloride ()
??-Butyrobetaine hydrochloride ()
(3-Carboxypropyl)trimethylammonium chlor ()
??Butyrobetaine hydrochloride ()
Actinine (chloride) ()
??-Butyrobetaine hydrochloride, ??B hydrochloride ()
P&D ID
PD098599
CAS
10329-41-6
6249-56-5
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-113270A
Selleckchem Bioactive Compound Library
3-carboxypropyl-trimethylammonium-chloride
TargetMol Bioactive Compound Library
T4702
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
146.12
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
0.56
TPSA
37.3
Fraction CSP3
0.86
Chiral centers
0.0
Largest ring
0.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data