[(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate

C22H25NO2 — CID 71449175

IUPAC[(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate
SMILESCN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
InChIKeyGVNGZGPVJXWAOP-GQOXECLESA-N
MW335.45 g/mol
LogP3.63
Rot. Bonds4

About [(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate

[(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate (PubChem CID 71449175) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate.

Molecular Properties

Compound Name[(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate
PubChem CID71449175
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name[(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate
SMILESCN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
InChIKeyGVNGZGPVJXWAOP-GQOXECLESA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate?
The IUPAC name of [(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate (CID 71449175) is [(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate.
What is the SMILES notation for [(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate?
The canonical SMILES for [(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate is CN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate?
The InChIKey is GVNGZGPVJXWAOP-GQOXECLESA-N. The full InChI is InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1.
What are the key properties of [(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate?
[(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate has a molecular weight of 335.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate is sourced from PubChem (CID 71449175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).