1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid

C11H13NO4 — CID 62097630

IUPAC1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCc2ccco2)CCC1
InChIInChI=1S/C11H13NO4/c13-9(11(10(14)15)4-2-5-11)12-7-8-3-1-6-16-8/h1,3,6H,2,4-5,7H2,(H,12,13)(H,14,15)
InChIKeyCSKNHGNRQJZFCZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.15
Rot. Bonds4

About 1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid

1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 62097630) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID62097630
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCc2ccco2)CCC1
InChIInChI=1S/C11H13NO4/c13-9(11(10(14)15)4-2-5-11)12-7-8-3-1-6-16-8/h1,3,6H,2,4-5,7H2,(H,12,13)(H,14,15)
InChIKeyCSKNHGNRQJZFCZ-UHFFFAOYSA-N
XLogP1.15
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396554
1-(thiophen-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096590
1-(furan-2-ylmethylamino)-2-methylcyclohexane-1-carboxylic acid
CID 114990376
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
1-N'-(2,6-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974715
N-(furan-2-ylmethyl)-2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025362
1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 114990379
1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974583
1-N'-(3-bromophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974696
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974601

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid (CID 62097630) is 1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)NCc2ccco2)CCC1.
What is the InChIKey of 1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is CSKNHGNRQJZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-9(11(10(14)15)4-2-5-11)12-7-8-3-1-6-16-8/h1,3,6H,2,4-5,7H2,(H,12,13)(H,14,15).
What are the key properties of 1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62097630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).