4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

C14H20N2O4 — CID 79525527

IUPAC4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccco1)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O4/c17-13(18)11-5-3-10(4-6-11)8-15-14(19)16-9-12-2-1-7-20-12/h1-2,7,10-11H,3-6,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyUJSHTCNNSKGDFB-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.97
Rot. Bonds5

About 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525527) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID79525527
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccco1)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O4/c17-13(18)11-5-3-10(4-6-11)8-15-14(19)16-9-12-2-1-7-20-12/h1-2,7,10-11H,3-6,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyUJSHTCNNSKGDFB-UHFFFAOYSA-N
XLogP1.97
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235917
cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678128
4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid
CID 114451272
1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235911
4-[[(5-methylthiophen-2-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529294
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
1-(furan-2-ylmethyl)-3-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95149324
4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963667
4-[[[4-(difluoromethyl)phenyl]methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 146143091
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807

Frequently Asked Questions

What is the IUPAC name of 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (CID 79525527) is 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is O=C(NCc1ccco1)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is UJSHTCNNSKGDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-13(18)11-5-3-10(4-6-11)8-15-14(19)16-9-12-2-1-7-20-12/h1-2,7,10-11H,3-6,8-9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).