2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid

C17H29NO2 — CID 63161385

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C17H29NO2/c1-13-4-5-14(16(19)20)15(12-13)18-10-8-17(9-11-18)6-2-3-7-17/h13-15H,2-12H2,1H3,(H,19,20)
InChIKeyYZTJUOCDJRUSMA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.53
Rot. Bonds2

About 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid

2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 63161385) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid
PubChem CID63161385
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C17H29NO2/c1-13-4-5-14(16(19)20)15(12-13)18-10-8-17(9-11-18)6-2-3-7-17/h13-15H,2-12H2,1H3,(H,19,20)
InChIKeyYZTJUOCDJRUSMA-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid
CID 63161343
2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine
CID 55166027
4-methyl-2-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 63067589
4-methyl-2-(4-propylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 55179892
2-(2-azaspiro[3.4]octan-2-yl)cyclopentane-1-carboxylic acid
CID 79695007
2-(4,4-dimethylazepan-1-yl)cycloheptane-1-carboxylic acid
CID 65286391
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylcyclohexane-1-carboxylic acid
CID 63067210
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
2-(8-azaspiro[4.5]decan-8-yl)-3,5-dimethylcyclohexan-1-ol
CID 64750716
4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
CID 65066159
2-(3-azaspiro[5.5]undecan-3-yl)-4-propylcyclohexan-1-ol
CID 63472871

Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid (CID 63161385) is 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(N2CCC3(CCCC3)CC2)C1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is YZTJUOCDJRUSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13-4-5-14(16(19)20)15(12-13)18-10-8-17(9-11-18)6-2-3-7-17/h13-15H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid?
2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 279.42 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63161385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).