2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid

C11H17NO2 — CID 70410520

IUPAC2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid
SMILESO=C(O)C12CCCC1CCC1CCN12
InChIInChI=1S/C11H17NO2/c13-10(14)11-6-1-2-8(11)3-4-9-5-7-12(9)11/h8-9H,1-7H2,(H,13,14)
InChIKeyCCHVXRNALSZVJV-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.48
Rot. Bonds1

About 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid

2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid (PubChem CID 70410520) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid.

Molecular Properties

Compound Name2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid
PubChem CID70410520
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid
SMILESO=C(O)C12CCCC1CCC1CCN12
InChIInChI=1S/C11H17NO2/c13-10(14)11-6-1-2-8(11)3-4-9-5-7-12(9)11/h8-9H,1-7H2,(H,13,14)
InChIKeyCCHVXRNALSZVJV-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid?
The IUPAC name of 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid (CID 70410520) is 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid.
What is the SMILES notation for 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid?
The canonical SMILES for 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid is O=C(O)C12CCCC1CCC1CCN12.
What is the InChIKey of 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid?
The InChIKey is CCHVXRNALSZVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10(14)11-6-1-2-8(11)3-4-9-5-7-12(9)11/h8-9H,1-7H2,(H,13,14).
What are the key properties of 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid?
2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid is sourced from PubChem (CID 70410520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).