2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate

C13H20NO3- — CID 4745906

IUPAC2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate
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)/p-1
InChIKeyPRMUOGGTHSUYAC-UHFFFAOYSA-M
MW238.31 g/mol
LogP0.60
Rot. Bonds3

About 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate

2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate (PubChem CID 4745906) has the molecular formula C13H20NO3- and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate
PubChem CID4745906
Molecular FormulaC13H20NO3-
Molecular Weight238.31 g/mol
Exact Mass238.14
IUPAC Name2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate
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)/p-1
InChIKeyPRMUOGGTHSUYAC-UHFFFAOYSA-M
XLogP0.60
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-(cyclooctylcarbamoyl)cyclohexane-1-carboxylate
CID 2179462
(1S,6S)-6-(cyclopentylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7309859
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
2-amino-N-cyclopentylcyclohexane-1-carboxamide
CID 62777872
aluminum;cyclohexane-1,2-dicarboxylate;hydroxide
CID 90236478
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6927821
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113224088
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate?
The IUPAC name of 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate (CID 4745906) is 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate?
The canonical SMILES for 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate is O=C([O-])C1CCCCC1C(=O)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate?
The InChIKey is PRMUOGGTHSUYAC-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate?
2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate has a molecular weight of 238.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 4745906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).