ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

C11H20N2O2 — CID 15725139

IUPACethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(NC)C2
InChIInChI=1S/C11H20N2O2/c1-3-15-11(14)13-9-4-5-10(13)7-8(6-9)12-2/h8-10,12H,3-7H2,1-2H3
InChIKeyKUZFVFIUDONJNQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.36
Rot. Bonds2

About ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 15725139) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID15725139
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(NC)C2
InChIInChI=1S/C11H20N2O2/c1-3-15-11(14)13-9-4-5-10(13)7-8(6-9)12-2/h8-10,12H,3-7H2,1-2H3
InChIKeyKUZFVFIUDONJNQ-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
Cambridge id 5453103
CID 2059342
tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 22570519
3-(Piperidin-4-yl)-1,3-oxazolidin-2-one
CID 13060627
rac-tert-butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11218405
Exo-3-(boc-amino)-8-azabicyclo[3.2.1]octane
CID 14774663
tert-Butyl 3-(ethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238622
tert-Butyl 3-(cyclopropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238778
Tert-butyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238944
rac-tert-butyl (1R,2S,3R,5S)-3-amino-2-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146323860
ethyl (1R,5S)-3-[2-(cyclopropylcarbamoylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70693977

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 15725139) is ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is CCOC(=O)N1C2CCC1CC(NC)C2.
What is the InChIKey of ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is KUZFVFIUDONJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-15-11(14)13-9-4-5-10(13)7-8(6-9)12-2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 15725139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).