2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid

C13H21NO2 — CID 63075043

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N1CC2CCC1C2
InChIInChI=1S/C13H21NO2/c15-13(16)11-3-1-2-4-12(11)14-8-9-5-6-10(14)7-9/h9-12H,1-8H2,(H,15,16)
InChIKeyTXBIRJHBXMYMGK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.11
Rot. Bonds2

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid

2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 63075043) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID63075043
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N1CC2CCC1C2
InChIInChI=1S/C13H21NO2/c15-13(16)11-3-1-2-4-12(11)14-8-9-5-6-10(14)7-9/h9-12H,1-8H2,(H,15,16)
InChIKeyTXBIRJHBXMYMGK-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid (CID 63075043) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is TXBIRJHBXMYMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-13(16)11-3-1-2-4-12(11)14-8-9-5-6-10(14)7-9/h9-12H,1-8H2,(H,15,16).
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid?
2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 223.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63075043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).