2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid

C17H27NO3 — CID 60790595

IUPAC2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H27NO3/c19-16(14-11-15(14)17(20)21)18(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-15H,1-11H2,(H,20,21)
InChIKeyKPHXLNJQSBKWPO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.20
Rot. Bonds4

About 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid

2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 60790595) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID60790595
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H27NO3/c19-16(14-11-15(14)17(20)21)18(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-15H,1-11H2,(H,20,21)
InChIKeyKPHXLNJQSBKWPO-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid 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

2-[cyclobutyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115730407
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
cis-(1S,2R)-2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311623
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 16792487
2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid
CID 80997243
2-[cycloheptyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 80996383
2-[cyclohexyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977670
N-cyclohexyl-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 78833407
N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide
CID 101089270
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364
CID 87476940
CID 87476940

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid (CID 60790595) is 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is KPHXLNJQSBKWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c19-16(14-11-15(14)17(20)21)18(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-15H,1-11H2,(H,20,21).
What are the key properties of 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60790595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).