2-azabicyclo[3.2.2]nonane-2-carboxylic acid

C9H15NO2 — CID 67027465

IUPAC2-azabicyclo[3.2.2]nonane-2-carboxylic acid
SMILESO=C(O)N1CCC2CCC1CC2
InChIInChI=1S/C9H15NO2/c11-9(12)10-6-5-7-1-3-8(10)4-2-7/h7-8H,1-6H2,(H,11,12)
InChIKeySLQFNCAMVVISKO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.93
Rot. Bonds

About 2-azabicyclo[3.2.2]nonane-2-carboxylic acid

2-azabicyclo[3.2.2]nonane-2-carboxylic acid (PubChem CID 67027465) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-azabicyclo[3.2.2]nonane-2-carboxylic acid.

Molecular Properties

Compound Name2-azabicyclo[3.2.2]nonane-2-carboxylic acid
PubChem CID67027465
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-azabicyclo[3.2.2]nonane-2-carboxylic acid
SMILESO=C(O)N1CCC2CCC1CC2
InChIInChI=1S/C9H15NO2/c11-9(12)10-6-5-7-1-3-8(10)4-2-7/h7-8H,1-6H2,(H,11,12)
InChIKeySLQFNCAMVVISKO-UHFFFAOYSA-N
XLogP1.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.2.2]nonane-2-carboxylic acid?
The IUPAC name of 2-azabicyclo[3.2.2]nonane-2-carboxylic acid (CID 67027465) is 2-azabicyclo[3.2.2]nonane-2-carboxylic acid.
What is the SMILES notation for 2-azabicyclo[3.2.2]nonane-2-carboxylic acid?
The canonical SMILES for 2-azabicyclo[3.2.2]nonane-2-carboxylic acid is O=C(O)N1CCC2CCC1CC2.
What is the InChIKey of 2-azabicyclo[3.2.2]nonane-2-carboxylic acid?
The InChIKey is SLQFNCAMVVISKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(12)10-6-5-7-1-3-8(10)4-2-7/h7-8H,1-6H2,(H,11,12).
What are the key properties of 2-azabicyclo[3.2.2]nonane-2-carboxylic acid?
2-azabicyclo[3.2.2]nonane-2-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.2.2]nonane-2-carboxylic acid is sourced from PubChem (CID 67027465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).