2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid

C9H15NO2 — CID 84653507

IUPAC2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid
SMILESCN1CC2CCC1CC2C(=O)O
InChIInChI=1S/C9H15NO2/c1-10-5-6-2-3-7(10)4-8(6)9(11)12/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyAKLSZFSGRGEXSZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.80
Rot. Bonds1

About 2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid

2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid (PubChem CID 84653507) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid
PubChem CID84653507
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid
SMILESCN1CC2CCC1CC2C(=O)O
InChIInChI=1S/C9H15NO2/c1-10-5-6-2-3-7(10)4-8(6)9(11)12/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyAKLSZFSGRGEXSZ-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid (CID 84653507) is 2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid is CN1CC2CCC1CC2C(=O)O.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid?
The InChIKey is AKLSZFSGRGEXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-5-6-2-3-7(10)4-8(6)9(11)12/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid?
2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid is sourced from PubChem (CID 84653507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).