3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid

C15H25NO2 — CID 79694969

IUPAC3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(N2CC3(CCCCC3)C2)C1
InChIInChI=1S/C15H25NO2/c17-14(18)12-5-4-6-13(9-12)16-10-15(11-16)7-2-1-3-8-15/h12-13H,1-11H2,(H,17,18)
InChIKeyRSGCMEDIDLIDLO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds2

About 3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid

3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 79694969) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID79694969
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(N2CC3(CCCCC3)C2)C1
InChIInChI=1S/C15H25NO2/c17-14(18)12-5-4-6-13(9-12)16-10-15(11-16)7-2-1-3-8-15/h12-13H,1-11H2,(H,17,18)
InChIKeyRSGCMEDIDLIDLO-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid
CID 79694926
3-(3,3-dimethoxyazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695707
3-(4-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695493
3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 70920708
(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 70920669
2-(2-azaspiro[3.4]octan-2-yl)cyclopentane-1-carboxylic acid
CID 79695007
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
(9S)-spiro[4.5]decane-9-carboxylic acid
CID 67991694
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 63042627
spiro[4.5]decane-3-carboxylic acid
CID 13443385
(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 98112266

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid (CID 79694969) is 3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(N2CC3(CCCCC3)C2)C1.
What is the InChIKey of 3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is RSGCMEDIDLIDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-14(18)12-5-4-6-13(9-12)16-10-15(11-16)7-2-1-3-8-15/h12-13H,1-11H2,(H,17,18).
What are the key properties of 3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid?
3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 251.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79694969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).