CID 38988477
PubChem CID
38988477
Structure
Molecular Formula
Status
Non-live
Molecular Weight
172.24 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
methyl 4-pyrrolidin-1-ium-1-ylbutanoate
InChI=1S/C9H17NO2/c1-12-9(11)5-4-8-10-6-2-3-7-10/h2-8H2,1H3/p+1
YUWSENDKBFKEMK-UHFFFAOYSA-O
COC(=O)CCC[NH+]1CCCC1
C9H18NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
172.24 g/mol
Property Name
XLogP3-AA
Property Value
0.9
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
172.133753817 g/mol
Property Name
Monoisotopic Mass
Property Value
172.133753817 g/mol
Property Name
Topological Polar Surface Area
Property Value
30.7 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
141
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
Old substance
Old substance
CONTENTS