2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid

C13H21NO3 — CID 2933637

IUPAC2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NC1CCCC1
InChIInChI=1S/C13H21NO3/c15-12(14-9-5-1-2-6-9)10-7-3-4-8-11(10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyPRMUOGGTHSUYAC-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.94
Rot. Bonds3

About 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid

2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 2933637) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID2933637
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NC1CCCC1
InChIInChI=1S/C13H21NO3/c15-12(14-9-5-1-2-6-9)10-7-3-4-8-11(10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyPRMUOGGTHSUYAC-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-Propylpiperidin-4-yl)carbamoyl]cyclohexanecarboxylic acid
CID 17376897
2-(2,2,6,6-Tetramethyl-piperidin-4-ylcarbamoyl)-cyclohexanecarboxylic acid
CID 649490
2-[(Cyclohexylamino)carbonyl]cyclohexanecarboxylic acid
CID 2844955
2-{N-[3-(2-oxopyrrolidinyl)propyl]carbamoyl}cyclohexanecarboxylic acid
CID 17379030
N-(2-mercapto ethyl) hexahydrophthalamic acid
CID 17977486
Cis-N-cyclohexylhexahydrophthalamic acid
CID 781729
2-(Pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2837862
8-[(Cyclohexylcarbonyl)amino]octanoic acid
CID 10149309
Cis-2-(Carboxymethyl-carbamoyl)-cyclohexanecarboxylic acid
CID 44375195
1-((Cyclopropylcarbamoyl)methyl)cyclopentane-1-carboxylic acid
CID 4962582
1-[(Cyclopropylcarbamoyl)methyl]cyclohexane-1-carboxylic acid
CID 4962847
2-((Butylamino)carbonyl)cyclohexanecarboxylic acid
CID 4413147

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid (CID 2933637) is 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is PRMUOGGTHSUYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(14-9-5-1-2-6-9)10-7-3-4-8-11(10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2933637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).