methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

C13H21NO3 — CID 74627744

IUPACmethyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
SMILESCCC12CC(=O)CC(C)(CN(C(=O)OC)C1)C2
InChIInChI=1S/C13H21NO3/c1-4-13-6-10(15)5-12(2,7-13)8-14(9-13)11(16)17-3/h4-9H2,1-3H3
InChIKeyWGGUSCBURPQRNF-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.22
Rot. Bonds1

About methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate (PubChem CID 74627744) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
PubChem CID74627744
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
SMILESCCC12CC(=O)CC(C)(CN(C(=O)OC)C1)C2
InChIInChI=1S/C13H21NO3/c1-4-13-6-10(15)5-12(2,7-13)8-14(9-13)11(16)17-3/h4-9H2,1-3H3
InChIKeyWGGUSCBURPQRNF-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate with MolForge

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Related Compounds

9-Oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid 1,1-dimethylethyl ester
CID 57429706
tert-Butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate
CID 51072194
Tert-butyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 52988154
Tert-butyl 7-oxo-2-azaspiro(5.5)undecane-2-carboxylate
CID 83680095
tert-Butyl 8-oxo-3-azaspiro[5.5]undecane-3-carboxylate
CID 135396462
Tert-butyl 1-oxo-3-azaspiro[5.5]undecane-3-carboxylate
CID 151110070
Tert-butyl 4-oxo-2-azaspiro[5.5]undecane-2-carboxylate
CID 165836815
Methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 74627769
methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate
CID 134834591
Tert-butyl 5-oxo-2-azaspiro[5.5]undecane-2-carboxylate
CID 49759238
Tert-butyl 7-oxo-3-azaspiro[5.5]undecane-3-carboxylate
CID 49760130
Ethyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 57485782

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate?
The IUPAC name of methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate (CID 74627744) is methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate is CCC12CC(=O)CC(C)(CN(C(=O)OC)C1)C2.
What is the InChIKey of methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate?
The InChIKey is WGGUSCBURPQRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-13-6-10(15)5-12(2,7-13)8-14(9-13)11(16)17-3/h4-9H2,1-3H3.
What are the key properties of methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate?
methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate is sourced from PubChem (CID 74627744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).