4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C13H17NO4 — CID 63789935

IUPAC4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C13H17NO4/c15-12(14-8-11-2-1-7-18-11)9-3-5-10(6-4-9)13(16)17/h1-2,7,9-10H,3-6,8H2,(H,14,15)(H,16,17)
InChIKeyGVXIHOZEWRFHLO-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.79
Rot. Bonds4

About 4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63789935) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63789935
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C13H17NO4/c15-12(14-8-11-2-1-7-18-11)9-3-5-10(6-4-9)13(16)17/h1-2,7,9-10H,3-6,8H2,(H,14,15)(H,16,17)
InChIKeyGVXIHOZEWRFHLO-UHFFFAOYSA-N
XLogP1.79
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525527
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
4-N-(2,6-difluorophenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147874
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
(1R,2R,3S,4R)-3-(furan-2-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124724780
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid
CID 114451272

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63789935) is 4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCc2ccco2)CC1.
What is the InChIKey of 4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is GVXIHOZEWRFHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-12(14-8-11-2-1-7-18-11)9-3-5-10(6-4-9)13(16)17/h1-2,7,9-10H,3-6,8H2,(H,14,15)(H,16,17).
What are the key properties of 4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63789935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).