3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C13H21NO3 — CID 64834981

IUPAC3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCCCC1
InChIInChI=1S/C13H21NO3/c1-13(2)9(10(13)12(16)17)11(15)14-8-6-4-3-5-7-8/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQFYDEFRTODGGEL-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.79
Rot. Bonds3

About 3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64834981) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64834981
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCCCC1
InChIInChI=1S/C13H21NO3/c1-13(2)9(10(13)12(16)17)11(15)14-8-6-4-3-5-7-8/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQFYDEFRTODGGEL-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(cyclooctylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091608
3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834865
2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64836565
2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64835405
cis-(1R,3S)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093239
3-[(2-hydroxycyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834681
3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79862092
3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 81387091
cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066932
3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83229822
2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64836587
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835591

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64834981) is 3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is QFYDEFRTODGGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2)9(10(13)12(16)17)11(15)14-8-6-4-3-5-7-8/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64834981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).