[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate

C17H17NO2 — CID 95916441

IUPAC[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
SMILESO=C(O[C@H](c1ccccc1)c1ccccn1)C1CCC1
InChIInChI=1S/C17H17NO2/c19-17(14-9-6-10-14)20-16(13-7-2-1-3-8-13)15-11-4-5-12-18-15/h1-5,7-8,11-12,14,16H,6,9-10H2/t16-/m1/s1
InChIKeyOARBZKKHFOJIEZ-MRXNPFEDSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds4

About [(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate

[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate (PubChem CID 95916441) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
PubChem CID95916441
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
SMILESO=C(O[C@H](c1ccccc1)c1ccccn1)C1CCC1
InChIInChI=1S/C17H17NO2/c19-17(14-9-6-10-14)20-16(13-7-2-1-3-8-13)15-11-4-5-12-18-15/h1-5,7-8,11-12,14,16H,6,9-10H2/t16-/m1/s1
InChIKeyOARBZKKHFOJIEZ-MRXNPFEDSA-N
XLogP3.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzhydryl cyclobutanecarboxylate
CID 134016551
benzhydryl cyclohexanecarboxylate
CID 11254888
[phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 55574225
potassium;hydride;pyridin-2-yl cyclobutanecarboxylate
CID 175231447
[phenyl(pyridin-2-yl)methyl] 3-(dimethylamino)benzoate
CID 47020542
[(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate
CID 51729581
lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide
CID 174704336
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
2-[cyclohexyl(propan-2-yloxy)methyl]pyridine;2-[phenyl(propan-2-yloxy)methyl]pyridine;propane;2-[propan-2-yloxy(pyridin-2-yl)methyl]pyridine
CID 160882666
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
diphenyl-[phenyl(pyridin-2-yl)methoxy]borane
CID 70916161
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511

Frequently Asked Questions

What is the IUPAC name of [(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate?
The IUPAC name of [(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate (CID 95916441) is [(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate.
What is the SMILES notation for [(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate?
The canonical SMILES for [(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate is O=C(O[C@H](c1ccccc1)c1ccccn1)C1CCC1.
What is the InChIKey of [(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate?
The InChIKey is OARBZKKHFOJIEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(14-9-6-10-14)20-16(13-7-2-1-3-8-13)15-11-4-5-12-18-15/h1-5,7-8,11-12,14,16H,6,9-10H2/t16-/m1/s1.
What are the key properties of [(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate?
[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate is sourced from PubChem (CID 95916441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).