CID 36687837
PubChem CID
36687837
Structure
Molecular Formula
Status
Non-live
Molecular Weight
240.32 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-[1-[2-(tert-butylamino)-2-oxoethyl]cyclopentyl]acetate
InChI=1S/C13H23NO3/c1-12(2,3)14-10(15)8-13(9-11(16)17)6-4-5-7-13/h4-9H2,1-3H3,(H,14,15)(H,16,17)/p-1
CLTLFXAYRGBIMJ-UHFFFAOYSA-M
CC(C)(C)NC(=O)CC1(CCCC1)CC(=O)[O-]
C13H22NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
240.32 g/mol
Property Name
XLogP3-AA
Property Value
2.7
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
4
Property Name
Exact Mass
Property Value
240.15996856 g/mol
Property Name
Monoisotopic Mass
Property Value
240.15996856 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.2 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
293
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
CONTENTS