methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate

C13H16O3 — CID 14710070

IUPACmethyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
SMILESCOC(=O)[C@](O)(c1ccccc1)C1CCC1
InChIInChI=1S/C13H16O3/c1-16-12(14)13(15,11-8-5-9-11)10-6-3-2-4-7-10/h2-4,6-7,11,15H,5,8-9H2,1H3/t13-/m0/s1
InChIKeyYXPHFWYCSAYUAB-ZDUSSCGKSA-N
MW220.27 g/mol
LogP1.85
Rot. Bonds3

About methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate

methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate (PubChem CID 14710070) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
PubChem CID14710070
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
SMILESCOC(=O)[C@](O)(c1ccccc1)C1CCC1
InChIInChI=1S/C13H16O3/c1-16-12(14)13(15,11-8-5-9-11)10-6-3-2-4-7-10/h2-4,6-7,11,15H,5,8-9H2,1H3/t13-/m0/s1
InChIKeyYXPHFWYCSAYUAB-ZDUSSCGKSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
CID 138501092
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70868092
(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrobromide
CID 25055664
but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 20689589
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
acetic acid;(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 25056698
[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 90679467
methyl 3-amino-2-cyclobutyl-2-phenylpropanoate
CID 106489211
(1-methylpyrrolidin-3-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 59751377
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate?
The IUPAC name of methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate (CID 14710070) is methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate is COC(=O)[C@](O)(c1ccccc1)C1CCC1.
What is the InChIKey of methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate?
The InChIKey is YXPHFWYCSAYUAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16O3/c1-16-12(14)13(15,11-8-5-9-11)10-6-3-2-4-7-10/h2-4,6-7,11,15H,5,8-9H2,1H3/t13-/m0/s1.
What are the key properties of methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate?
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate has a molecular weight of 220.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 14710070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).