CID 33784668
PubChem CID
33784668
Structure
Molecular Formula
Status
Non-live
Molecular Weight
226.29 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-oxopentanoate
InChI=1S/C12H21NO3/c1-9-6-10(2)8-13(7-9)11(14)4-3-5-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)/p-1/t9-,10-/m1/s1
PIIVOUXFJSHAAD-NXEZZACHSA-M
C[C@@H]1C[C@H](CN(C1)C(=O)CCCC(=O)[O-])C
C12H20NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
226.29 g/mol
Property Name
XLogP3-AA
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
226.14431850 g/mol
Property Name
Monoisotopic Mass
Property Value
226.14431850 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
249
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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
CONTENTS