methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate

C12H21NO2 — CID 90845104

IUPACmethyl 8-azabicyclo[4.3.2]undecane-8-carboxylate
SMILESCOC(=O)N1CC2CCCCC(CC2)C1
InChIInChI=1S/C12H21NO2/c1-15-12(14)13-8-10-4-2-3-5-11(9-13)7-6-10/h10-11H,2-9H2,1H3
InChIKeyBHPZDYYNCMCHRO-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.65
Rot. Bonds

About methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate

methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate (PubChem CID 90845104) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate.

Molecular Properties

Compound Namemethyl 8-azabicyclo[4.3.2]undecane-8-carboxylate
PubChem CID90845104
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 8-azabicyclo[4.3.2]undecane-8-carboxylate
SMILESCOC(=O)N1CC2CCCCC(CC2)C1
InChIInChI=1S/C12H21NO2/c1-15-12(14)13-8-10-4-2-3-5-11(9-13)7-6-10/h10-11H,2-9H2,1H3
InChIKeyBHPZDYYNCMCHRO-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 4-bromopiperidine-1-carboxylate
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methyl 3-methylsulfonylazetidine-1-carboxylate
CID 176706532
methyl 4-cyclopentylpiperazine-1-carboxylate
CID 110708898
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
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Frequently Asked Questions

What is the IUPAC name of methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate?
The IUPAC name of methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate (CID 90845104) is methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate.
What is the SMILES notation for methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate?
The canonical SMILES for methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate is COC(=O)N1CC2CCCCC(CC2)C1.
What is the InChIKey of methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate?
The InChIKey is BHPZDYYNCMCHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-15-12(14)13-8-10-4-2-3-5-11(9-13)7-6-10/h10-11H,2-9H2,1H3.
What are the key properties of methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate?
methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate is sourced from PubChem (CID 90845104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).