1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid

C15H25NO2 — CID 79695262

IUPAC1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CC3(CCCC3)C2)C1
InChIInChI=1S/C15H25NO2/c1-12-5-4-8-15(9-12,13(17)18)16-10-14(11-16)6-2-3-7-14/h12H,2-11H2,1H3,(H,17,18)
InChIKeyNVELXPAEZSEHEW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds2

About 1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid

1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid (PubChem CID 79695262) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid
PubChem CID79695262
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CC3(CCCC3)C2)C1
InChIInChI=1S/C15H25NO2/c1-12-5-4-8-15(9-12,13(17)18)16-10-14(11-16)6-2-3-7-14/h12H,2-11H2,1H3,(H,17,18)
InChIKeyNVELXPAEZSEHEW-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

3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 43803240
1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 114994922
3-methyl-1-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 61002837
1-(2-azaspiro[3.3]heptan-2-yl)cycloheptane-1-carboxylic acid
CID 79694328
3-methyl-1-(1,2,4-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 62267893
3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 61292826
1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 114990462
1-(3,3-dimethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79695154
1-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235039
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 61291676
1,3-dimethylcyclohexane-1-carboxylic acid;gallane
CID 173230455
1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid
CID 81166804

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid (CID 79695262) is 1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(C(=O)O)(N2CC3(CCCC3)C2)C1.
What is the InChIKey of 1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is NVELXPAEZSEHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-5-4-8-15(9-12,13(17)18)16-10-14(11-16)6-2-3-7-14/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of 1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid?
1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-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 1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79695262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).