CID 26722587
PubChem CID
26722587
Structure
Molecular Formula
Status
Non-live
Molecular Weight
171.24 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3S)-1-ethyl-3-methylpiperidin-1-ium-3-carboxylate
InChI=1S/C9H17NO2/c1-3-10-6-4-5-9(2,7-10)8(11)12/h3-7H2,1-2H3,(H,11,12)/t9-/m0/s1
XRUYERPASDPHOS-VIFPVBQESA-N
CC[NH+]1CCC[C@](C1)(C)C(=O)[O-]
C9H17NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
171.24 g/mol
Property Name
XLogP3-AA
Property Value
-0.6
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
1
Property Name
Exact Mass
Property Value
171.125928785 g/mol
Property Name
Monoisotopic Mass
Property Value
171.125928785 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.6 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
176
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
Old substance
CONTENTS