CID 28065659
PubChem CID
28065659
Structure
Molecular Formula
Status
Non-live
Molecular Weight
226.29 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(1S,3R)-3-(ethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate
InChI=1S/C12H21NO3/c1-5-13-9(14)8-6-7-12(4,10(15)16)11(8,2)3/h8H,5-7H2,1-4H3,(H,13,14)(H,15,16)/p-1/t8-,12+/m0/s1
KUBXPGRPHGZSAH-QPUJVOFHSA-M
CCNC(=O)[C@@H]1CC[C@](C1(C)C)(C)C(=O)[O-]
C12H20NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
226.29 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
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
69.2 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
306
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
Old substance
Old substance
CONTENTS