5-(cyclohexylamino)furan-2-carboxylic acid

C11H15NO3 — CID 62207046

IUPAC5-(cyclohexylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NC2CCCCC2)o1
InChIInChI=1S/C11H15NO3/c13-11(14)9-6-7-10(15-9)12-8-4-2-1-3-5-8/h6-8,12H,1-5H2,(H,13,14)
InChIKeySCVOWUPXSBEQTG-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.72
Rot. Bonds3

About 5-(cyclohexylamino)furan-2-carboxylic acid

5-(cyclohexylamino)furan-2-carboxylic acid (PubChem CID 62207046) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-(cyclohexylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)furan-2-carboxylic acid
PubChem CID62207046
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-(cyclohexylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NC2CCCCC2)o1
InChIInChI=1S/C11H15NO3/c13-11(14)9-6-7-10(15-9)12-8-4-2-1-3-5-8/h6-8,12H,1-5H2,(H,13,14)
InChIKeySCVOWUPXSBEQTG-UHFFFAOYSA-N
XLogP2.72
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylcyclohexyl)amino]furan-2-carboxylic acid
CID 62204413
5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
CID 62409956
5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid
CID 64669427
5-(dicyclopropylmethylamino)furan-2-carboxylic acid
CID 62206725
5-[(2,2,3,3-tetramethylcyclopropyl)amino]furan-2-carboxylic acid
CID 79351175
2-(cyclopentylamino)-1,3-oxazole-5-carboxylic acid
CID 117190021
[5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone
CID 82510545
5-(1-cyclohexylsulfanylethyl)furan-2-carboxylic acid
CID 79084513
5-(1-cyclopropylethylamino)furan-2-carboxylic acid
CID 62205847
5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid
CID 62406823
5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid
CID 63943586
5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid
CID 79083639

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(cyclohexylamino)furan-2-carboxylic acid (CID 62207046) is 5-(cyclohexylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(cyclohexylamino)furan-2-carboxylic acid is O=C(O)c1ccc(NC2CCCCC2)o1.
What is the InChIKey of 5-(cyclohexylamino)furan-2-carboxylic acid?
The InChIKey is SCVOWUPXSBEQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-11(14)9-6-7-10(15-9)12-8-4-2-1-3-5-8/h6-8,12H,1-5H2,(H,13,14).
What are the key properties of 5-(cyclohexylamino)furan-2-carboxylic acid?
5-(cyclohexylamino)furan-2-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)furan-2-carboxylic acid is sourced from PubChem (CID 62207046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).