General Information of the Compound
Compound ID
CP0021606
Compound Name
8-Aza-bicyclo[3.2.1]octane-6-carboxylic acid methyl ester
    Show/Hide
Structure
Formula
C9H15NO2
Molecular Weight
169.224
Canonical SMILES
COC(=O)C1CC2CCCC1N2
    Show/Hide
InChI
InChI=1S/C9H15NO2/c1-12-9(11)7-5-6-3-2-4-8(7)10-6/h6-8,10H,2-5H2,1H3
    Show/Hide
InChIKey
UQNMBYYNYGZWBK-UHFFFAOYSA-N
Physicochemical Property
logP
0.69
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
12

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44304818
ChEMBL ID
CHEMBL64788
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 480 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 18000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 7900 nM
   TI
   LI
   LO
   TS