4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid

C17H27NO3 — CID 120673884

IUPAC4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CC2C2CCCCC2)CC1
InChIInChI=1S/C17H27NO3/c19-16(12-6-8-13(9-7-12)17(20)21)18-15-10-14(15)11-4-2-1-3-5-11/h11-15H,1-10H2,(H,18,19)(H,20,21)
InChIKeyRFZDBCCCDGZOLJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.96
Rot. Bonds4

About 4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673884) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673884
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CC2C2CCCCC2)CC1
InChIInChI=1S/C17H27NO3/c19-16(12-6-8-13(9-7-12)17(20)21)18-15-10-14(15)11-4-2-1-3-5-11/h11-15H,1-10H2,(H,18,19)(H,20,21)
InChIKeyRFZDBCCCDGZOLJ-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012285
3-amino-N-(2-cyclohexylcyclopropyl)cyclohexane-1-carboxamide
CID 119803900
N-(2-cyclohexylcyclopropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 71929793
(2S,4S)-N-(2-cyclohexylcyclopropyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636110
4-[(2-methylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784706
N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 97080297
N-(2-aminocyclopropyl)cyclohexanecarboxamide
CID 43593715
2-cyclononylcyclohexane-1,4-dicarboxylic acid
CID 139878534
4-[(2,4-dimethylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63997990
(1R,5R,6S)-6-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]bicyclo[3.2.0]heptane-3-carboxylic acid
CID 138027305
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120673884) is 4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CC2C2CCCCC2)CC1.
What is the InChIKey of 4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RFZDBCCCDGZOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c19-16(12-6-8-13(9-7-12)17(20)21)18-15-10-14(15)11-4-2-1-3-5-11/h11-15H,1-10H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).