1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid

C11H11FN2O3 — CID 65481473

IUPAC1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(F)cn2)CCC1
InChIInChI=1S/C11H11FN2O3/c12-7-2-3-8(13-6-7)14-9(15)11(10(16)17)4-1-5-11/h2-3,6H,1,4-5H2,(H,16,17)(H,13,14,15)
InChIKeyRTJQBQRZFCWWKG-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.41
Rot. Bonds3

About 1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 65481473) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID65481473
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(F)cn2)CCC1
InChIInChI=1S/C11H11FN2O3/c12-7-2-3-8(13-6-7)14-9(15)11(10(16)17)4-1-5-11/h2-3,6H,1,4-5H2,(H,16,17)(H,13,14,15)
InChIKeyRTJQBQRZFCWWKG-UHFFFAOYSA-N
XLogP1.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.41
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

N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide
CID 126770682
1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79766775
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693
1-(pyrimidin-2-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095217
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119
N'-(5-fluoro-2-pyridinyl)-1-methylcyclobutane-1-carbohydrazide
CID 137354234
1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096249
1-[(2,3-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095401
N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 119839119
1-[(2-methyl-4-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79240228
4-[(5-fluoro-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244418
1-[(3-fluoro-4-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096062

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 65481473) is 1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2ccc(F)cn2)CCC1.
What is the InChIKey of 1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is RTJQBQRZFCWWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-7-2-3-8(13-6-7)14-9(15)11(10(16)17)4-1-5-11/h2-3,6H,1,4-5H2,(H,16,17)(H,13,14,15).
What are the key properties of 1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 238.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 65481473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).