3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid

C10H18N2O2 — CID 43803215

IUPAC3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
SMILESCN(C)C1(C(=O)O)CN2CCC1CC2
InChIInChI=1S/C10H18N2O2/c1-11(2)10(9(13)14)7-12-5-3-8(10)4-6-12/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyWGJXCXSZCROBJX-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.10
Rot. Bonds2

About 3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid

3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid (PubChem CID 43803215) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
PubChem CID43803215
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
SMILESCN(C)C1(C(=O)O)CN2CCC1CC2
InChIInChI=1S/C10H18N2O2/c1-11(2)10(9(13)14)7-12-5-3-8(10)4-6-12/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyWGJXCXSZCROBJX-UHFFFAOYSA-N
XLogP0.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid (CID 43803215) is 3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid is CN(C)C1(C(=O)O)CN2CCC1CC2.
What is the InChIKey of 3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid?
The InChIKey is WGJXCXSZCROBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11(2)10(9(13)14)7-12-5-3-8(10)4-6-12/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid?
3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid is sourced from PubChem (CID 43803215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).