1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid

C11H11NO3 — CID 116921877

IUPAC1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)c2cccnc2)CCC1
InChIInChI=1S/C11H11NO3/c13-9(8-3-1-6-12-7-8)11(10(14)15)4-2-5-11/h1,3,6-7H,2,4-5H2,(H,14,15)
InChIKeyKGKHKEBOVWAZJB-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.52
Rot. Bonds3

About 1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid

1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 116921877) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID116921877
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)c2cccnc2)CCC1
InChIInChI=1S/C11H11NO3/c13-9(8-3-1-6-12-7-8)11(10(14)15)4-2-5-11/h1,3,6-7H,2,4-5H2,(H,14,15)
InChIKeyKGKHKEBOVWAZJB-UHFFFAOYSA-N
XLogP1.52
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(pyridine-3-carbonyl)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

1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile
CID 116921578
(2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 172819902
1-(1-pyridin-3-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095230
CID 157283677
CID 157283677
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
nickel;pyridine-3-carboxylic acid
CID 174049937
pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone
CID 164649275
(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
CID 116748823
benzene;pyridine-3-carboxamide
CID 66766032
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
(1-morpholin-4-ylcyclopentyl)-pyridin-3-ylmethanone
CID 79058779
pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572842

Frequently Asked Questions

What is the IUPAC name of 1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid (CID 116921877) is 1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)c2cccnc2)CCC1.
What is the InChIKey of 1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is KGKHKEBOVWAZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-9(8-3-1-6-12-7-8)11(10(14)15)4-2-5-11/h1,3,6-7H,2,4-5H2,(H,14,15).
What are the key properties of 1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid?
1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116921877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).