2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid

C14H23NO3 — CID 115752919

IUPAC2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCC1CCC1
InChIInChI=1S/C14H23NO3/c16-13(15-9-8-10-4-3-5-10)11-6-1-2-7-12(11)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)
InChIKeySQDYOWGTPGPAQD-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds5

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

2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 115752919) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID115752919
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCC1CCC1
InChIInChI=1S/C14H23NO3/c16-13(15-9-8-10-4-3-5-10)11-6-1-2-7-12(11)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)
InChIKeySQDYOWGTPGPAQD-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975015
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60934525
cis-(1S,2R)-2-(2-cyanoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93317766
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 115752919) is 2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is SQDYOWGTPGPAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(15-9-8-10-4-3-5-10)11-6-1-2-7-12(11)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115752919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).