3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate

C20H27NO3 — CID 11602361

IUPAC3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESO=C(OC1C2CCC1CNC2)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C20H27NO3/c22-19(24-18-14-10-11-15(18)13-21-12-14)20(23,17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,14-15,17-18,21,23H,4-5,8-13H2
InChIKeyWRDHRFJXXYITHE-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.61
Rot. Bonds4

About 3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate

3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate (PubChem CID 11602361) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
PubChem CID11602361
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESO=C(OC1C2CCC1CNC2)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C20H27NO3/c22-19(24-18-14-10-11-15(18)13-21-12-14)20(23,17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,14-15,17-18,21,23H,4-5,8-13H2
InChIKeyWRDHRFJXXYITHE-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
CID 134123321
(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrobromide
CID 25055664
(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 11582875
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11551423
acetic acid;(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 25056698
(2,2-dimethyl-2-azoniabicyclo[2.2.1]heptan-7-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate iodide
CID 69263738
[(1S)-2,2-dimethyl-2-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenylacetate iodide
CID 24894807
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 11532129
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
(1-methylpyrrolidin-3-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 59751377
[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
CID 16733901

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The IUPAC name of 3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate (CID 11602361) is 3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for 3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for 3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate is O=C(OC1C2CCC1CNC2)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The InChIKey is WRDHRFJXXYITHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-19(24-18-14-10-11-15(18)13-21-12-14)20(23,17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,14-15,17-18,21,23H,4-5,8-13H2.
What are the key properties of 3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate?
3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate has a molecular weight of 329.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 11602361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).