7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C15H25NO2 — CID 79853136

IUPAC7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)CCCCC1N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C15H25NO2/c1-15(2)8-4-3-5-13(15)16-10-6-7-12(16)11(9-10)14(17)18/h10-13H,3-9H2,1-2H3,(H,17,18)
InChIKeyZVGVPAMCGZPZDT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.89
Rot. Bonds2

About 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 79853136) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID79853136
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)CCCCC1N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C15H25NO2/c1-15(2)8-4-3-5-13(15)16-10-6-7-12(16)11(9-10)14(17)18/h10-13H,3-9H2,1-2H3,(H,17,18)
InChIKeyZVGVPAMCGZPZDT-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Related Compounds

7-(4,4-dimethylthian-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79955922
7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79933602
8-(2,2-dimethylcyclohexyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79877974
1-(2,2-dimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 79853568
7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79893837
7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 81468358
1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79862792
7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 81168826
2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103256629
7-methylsulfinyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 127006196
7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 116522744
(1S,5R,6S)-8-methyl-8-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 131859498

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 79853136) is 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CC1(C)CCCCC1N1C2CCC1C(C(=O)O)C2.
What is the InChIKey of 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is ZVGVPAMCGZPZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2)8-4-3-5-13(15)16-10-6-7-12(16)11(9-10)14(17)18/h10-13H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 251.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 79853136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).