ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate

C13H21NO3 — CID 170357153

IUPACethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CN2C3CCC2COC3)CC1
InChIInChI=1S/C13H21NO3/c1-2-17-12(15)13(5-6-13)9-14-10-3-4-11(14)8-16-7-10/h10-11H,2-9H2,1H3
InChIKeyGJZBLMXYAQIJTA-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.19
Rot. Bonds4

About ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate

ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate (PubChem CID 170357153) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate
PubChem CID170357153
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CN2C3CCC2COC3)CC1
InChIInChI=1S/C13H21NO3/c1-2-17-12(15)13(5-6-13)9-14-10-3-4-11(14)8-16-7-10/h10-11H,2-9H2,1H3
InChIKeyGJZBLMXYAQIJTA-UHFFFAOYSA-N
XLogP1.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate (CID 170357153) is ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate is CCOC(=O)C1(CN2C3CCC2COC3)CC1.
What is the InChIKey of ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate?
The InChIKey is GJZBLMXYAQIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-17-12(15)13(5-6-13)9-14-10-3-4-11(14)8-16-7-10/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate?
ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 170357153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).