3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid

C13H23NO3 — CID 63783173

IUPAC3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCCC(C)CNC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-3-9(2)8-14-12(15)10-5-4-6-11(7-10)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGBYBXFKHPOXCCK-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.04
Rot. Bonds5

About 3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid

3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63783173) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63783173
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCCC(C)CNC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-3-9(2)8-14-12(15)10-5-4-6-11(7-10)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGBYBXFKHPOXCCK-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutylcarbamoyl)cyclobutane-1,3-dicarboxylic acid
CID 138534718
3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551301
3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782619
3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 103952602
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913
6-methyl-N-(2-methylbutyl)piperidine-2-carboxamide
CID 62694589
3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63789915
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306
3-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55236170
3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107214937
3-(octan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784683

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63783173) is 3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid is CCC(C)CNC(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is GBYBXFKHPOXCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-9(2)8-14-12(15)10-5-4-6-11(7-10)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid?
3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).