(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate

C17H23NO3 — CID 12942062

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate
SMILESCOC(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-18-13-8-9-14(18)11-15(10-13)21-17(19)16(20-2)12-6-4-3-5-7-12/h3-7,13-16H,8-11H2,1-2H3
InChIKeyUCEHPVVJPVFWAZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.54
Rot. Bonds4

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate (PubChem CID 12942062) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate
PubChem CID12942062
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate
SMILESCOC(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-18-13-8-9-14(18)11-15(10-13)21-17(19)16(20-2)12-6-4-3-5-7-12/h3-7,13-16H,8-11H2,1-2H3
InChIKeyUCEHPVVJPVFWAZ-UHFFFAOYSA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate (CID 12942062) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate is COC(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate?
The InChIKey is UCEHPVVJPVFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18-13-8-9-14(18)11-15(10-13)21-17(19)16(20-2)12-6-4-3-5-7-12/h3-7,13-16H,8-11H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate has a molecular weight of 289.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methoxy-2-phenylacetate is sourced from PubChem (CID 12942062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).