1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid

C10H12N2O3 — CID 84780117

IUPAC1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid
SMILESCOc1cnc(C2(C(=O)O)CCC2)nc1
InChIInChI=1S/C10H12N2O3/c1-15-7-5-11-8(12-6-7)10(9(13)14)3-2-4-10/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyBFJZRGPSPHPUMR-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.99
Rot. Bonds3

About 1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid

1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid (PubChem CID 84780117) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid
PubChem CID84780117
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid
SMILESCOc1cnc(C2(C(=O)O)CCC2)nc1
InChIInChI=1S/C10H12N2O3/c1-15-7-5-11-8(12-6-7)10(9(13)14)3-2-4-10/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyBFJZRGPSPHPUMR-UHFFFAOYSA-N
XLogP0.99
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-methoxypyrimidin-2-yl)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-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 126980335
1-(3-bromo-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117481805
1-(3-chloro-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117390007
1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393686
1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446109
1-(4-tert-butylpyrimidin-2-yl)cyclobutane-1-carboxylic acid
CID 116902739
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-(3-fluoro-4-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117352802
1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458267
1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117415085
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid (CID 84780117) is 1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid is COc1cnc(C2(C(=O)O)CCC2)nc1.
What is the InChIKey of 1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid?
The InChIKey is BFJZRGPSPHPUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-7-5-11-8(12-6-7)10(9(13)14)3-2-4-10/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid?
1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 84780117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).