2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid

C12H21NO2 — CID 79695533

IUPAC2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1(C)CN(C2CCCCC2C(=O)O)C1
InChIInChI=1S/C12H21NO2/c1-12(2)7-13(8-12)10-6-4-3-5-9(10)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyVSYHFTBKDSHYBJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds2

About 2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid

2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79695533) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79695533
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1(C)CN(C2CCCCC2C(=O)O)C1
InChIInChI=1S/C12H21NO2/c1-12(2)7-13(8-12)10-6-4-3-5-9(10)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyVSYHFTBKDSHYBJ-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 102746280
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CID 65286391
2-(2-azaspiro[3.4]octan-2-yl)cyclopentane-1-carboxylic acid
CID 79695007
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopentane-1-carboxylic acid
CID 79694800
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 140693285
2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 63069445
2-[4-(dimethylamino)piperidin-1-yl]cycloheptane-1-carboxylic acid
CID 55146891
2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid
CID 63161343
2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694598

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid (CID 79695533) is 2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid is CC1(C)CN(C2CCCCC2C(=O)O)C1.
What is the InChIKey of 2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is VSYHFTBKDSHYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2)7-13(8-12)10-6-4-3-5-9(10)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid?
2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79695533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).