5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid

C14H13NO4 — CID 120690709

IUPAC5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(NC(=O)C3CCC3)ccc2o1
InChIInChI=1S/C14H13NO4/c16-13(8-2-1-3-8)15-10-4-5-11-9(6-10)7-12(19-11)14(17)18/h4-8H,1-3H2,(H,15,16)(H,17,18)
InChIKeyYSEGJGNDWVJDFK-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.87
Rot. Bonds3

About 5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid

5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid (PubChem CID 120690709) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
PubChem CID120690709
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc(NC(=O)C3CCC3)ccc2o1
InChIInChI=1S/C14H13NO4/c16-13(8-2-1-3-8)15-10-4-5-11-9(6-10)7-12(19-11)14(17)18/h4-8H,1-3H2,(H,15,16)(H,17,18)
InChIKeyYSEGJGNDWVJDFK-UHFFFAOYSA-N
XLogP2.87
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690794
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
5-[[(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylic acid;dihydrochloride
CID 118088689
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690724
5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
CID 129467811
5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690901
5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid
CID 120690748
[4-[[2-(thiomorpholine-4-carbonyl)-1-benzofuran-5-yl]carbamoyl]cyclohexyl] carbamate
CID 137356416
N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide
CID 123362324
1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 55930145
2-bromo-5-(cyclobutanecarbonylamino)benzoic acid
CID 115295680

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid (CID 120690709) is 5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2cc(NC(=O)C3CCC3)ccc2o1.
What is the InChIKey of 5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid?
The InChIKey is YSEGJGNDWVJDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13(8-2-1-3-8)15-10-4-5-11-9(6-10)7-12(19-11)14(17)18/h4-8H,1-3H2,(H,15,16)(H,17,18).
What are the key properties of 5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid?
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).