3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid

C19H31NO3 — CID 120552930

IUPAC3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCC(C(=O)O)C2)CC12CCCCC2
InChIInChI=1S/C19H31NO3/c1-14-8-11-20(13-19(14)9-3-2-4-10-19)17(21)15-6-5-7-16(12-15)18(22)23/h14-16H,2-13H2,1H3,(H,22,23)
InChIKeyQURXSVBYBVHDKP-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.70
Rot. Bonds2

About 3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid

3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 120552930) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID120552930
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCC(C(=O)O)C2)CC12CCCCC2
InChIInChI=1S/C19H31NO3/c1-14-8-11-20(13-19(14)9-3-2-4-10-19)17(21)15-6-5-7-16(12-15)18(22)23/h14-16H,2-13H2,1H3,(H,22,23)
InChIKeyQURXSVBYBVHDKP-UHFFFAOYSA-N
XLogP3.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
3-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63782956
trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124513759
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782292
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 103550019
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103551311

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid (CID 120552930) is 3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid is CC1CCN(C(=O)C2CCCC(C(=O)O)C2)CC12CCCCC2.
What is the InChIKey of 3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is QURXSVBYBVHDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-14-8-11-20(13-19(14)9-3-2-4-10-19)17(21)15-6-5-7-16(12-15)18(22)23/h14-16H,2-13H2,1H3,(H,22,23).
What are the key properties of 3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid?
3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 321.46 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120552930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).