trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C13H17NO4 — CID 124510443

IUPACtrans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@@H](C(=O)NCc2ccco2)C1
InChIInChI=1S/C13H17NO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h2,5-6,9-10H,1,3-4,7-8H2,(H,14,15)(H,16,17)/t9-,10-/m1/s1
InChIKeyKYPOIIFIGOGISS-NXEZZACHSA-N
MW251.28 g/mol
LogP1.79
Rot. Bonds4

About trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 124510443) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID124510443
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nametrans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@@H](C(=O)NCc2ccco2)C1
InChIInChI=1S/C13H17NO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h2,5-6,9-10H,1,3-4,7-8H2,(H,14,15)(H,16,17)/t9-,10-/m1/s1
InChIKeyKYPOIIFIGOGISS-NXEZZACHSA-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-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120631128
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
(1R,2R,3S,4R)-3-(furan-2-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124724780
cis-(1R,3S)-3-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678128
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 124510443) is trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCC[C@@H](C(=O)NCc2ccco2)C1.
What is the InChIKey of trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is KYPOIIFIGOGISS-NXEZZACHSA-N. The full InChI is InChI=1S/C13H17NO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h2,5-6,9-10H,1,3-4,7-8H2,(H,14,15)(H,16,17)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
trans-(1R,3R)-3-(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 trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 124510443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).