1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid

C12H21NO2 — CID 65072053

IUPAC1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid
SMILESCC1CCCC(C)C1N1CC(C(=O)O)C1
InChIInChI=1S/C12H21NO2/c1-8-4-3-5-9(2)11(8)13-6-10(7-13)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyAIFYQXYOAYBVBE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.83
Rot. Bonds2

About 1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid

1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid (PubChem CID 65072053) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid
PubChem CID65072053
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid
SMILESCC1CCCC(C)C1N1CC(C(=O)O)C1
InChIInChI=1S/C12H21NO2/c1-8-4-3-5-9(2)11(8)13-6-10(7-13)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyAIFYQXYOAYBVBE-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid
CID 65071889
2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid
CID 116684450
1-(2-methylcyclopentanecarbonyl)azetidine-3-carboxylic acid
CID 107175545
2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
CID 65062610
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
1-(2,6-dimethylcyclohexyl)-5-methylpiperidin-3-amine
CID 79987187
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188056
1-(2-adamantyl)azetidine-3-carboxylic acid
CID 71025045
(1R,2R,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188055
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid (CID 65072053) is 1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid is CC1CCCC(C)C1N1CC(C(=O)O)C1.
What is the InChIKey of 1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid?
The InChIKey is AIFYQXYOAYBVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8-4-3-5-9(2)11(8)13-6-10(7-13)12(14)15/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid?
1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 65072053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).