CID 38988208
PubChem CID
38988208
Structure
Molecular Formula
Status
Non-live
Molecular Weight
200.30 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
methyl 4-[(2R)-2-methylpiperidin-1-ium-1-yl]butanoate
InChI=1S/C11H21NO2/c1-10-6-3-4-8-12(10)9-5-7-11(13)14-2/h10H,3-9H2,1-2H3/p+1/t10-/m1/s1
ZMIJRZZXFKLROL-SNVBAGLBSA-O
C[C@@H]1CCCC[NH+]1CCCC(=O)OC
C11H22NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
200.30 g/mol
Property Name
XLogP3-AA
Property Value
1.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
200.165053945 g/mol
Property Name
Monoisotopic Mass
Property Value
200.165053945 g/mol
Property Name
Topological Polar Surface Area
Property Value
30.7 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
182
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS