1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid

C14H13NO4 — CID 115183832

IUPAC1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2coc3ccccc23)CCC1
InChIInChI=1S/C14H13NO4/c16-12(14(13(17)18)6-3-7-14)15-10-8-19-11-5-2-1-4-9(10)11/h1-2,4-5,8H,3,6-7H2,(H,15,16)(H,17,18)
InChIKeyZEHOUVKJUCTIAV-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.63
Rot. Bonds3

About 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid

1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 115183832) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID115183832
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2coc3ccccc23)CCC1
InChIInChI=1S/C14H13NO4/c16-12(14(13(17)18)6-3-7-14)15-10-8-19-11-5-2-1-4-9(10)11/h1-2,4-5,8H,3,6-7H2,(H,15,16)(H,17,18)
InChIKeyZEHOUVKJUCTIAV-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide
CID 115183237
N-(1-benzofuran-3-yl)piperidine-3-carboxamide
CID 115159864
1-[(2,3-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095401
1-[1-benzofuran-3-yl(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958973
N-(1-benzofuran-3-yl)piperidine-4-carboxamide
CID 115159983
1-(thiophen-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096590
1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79044431
N-(1-benzofuran-3-yl)-1-benzofuran-3-amine
CID 53410322
1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095217
(2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 150331566
(2R)-2-(1-benzofuran-3-ylamino)propanoic acid
CID 142768973
1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79766775

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid (CID 115183832) is 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2coc3ccccc23)CCC1.
What is the InChIKey of 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is ZEHOUVKJUCTIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-12(14(13(17)18)6-3-7-14)15-10-8-19-11-5-2-1-4-9(10)11/h1-2,4-5,8H,3,6-7H2,(H,15,16)(H,17,18).
What are the key properties of 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115183832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).