methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate

C14H26N2O3 — CID 66369800

IUPACmethyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
SMILESCCNC(C)(CCN1CC2CCC(C1)O2)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-4-15-14(2,13(17)18-3)7-8-16-9-11-5-6-12(10-16)19-11/h11-12,15H,4-10H2,1-3H3
InChIKeyFWLCFNRPJYPHQC-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds6

About methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate

methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate (PubChem CID 66369800) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
PubChem CID66369800
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
SMILESCCNC(C)(CCN1CC2CCC(C1)O2)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-4-15-14(2,13(17)18-3)7-8-16-9-11-5-6-12(10-16)19-11/h11-12,15H,4-10H2,1-3H3
InChIKeyFWLCFNRPJYPHQC-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate (CID 66369800) is methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate is CCNC(C)(CCN1CC2CCC(C1)O2)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate?
The InChIKey is FWLCFNRPJYPHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-15-14(2,13(17)18-3)7-8-16-9-11-5-6-12(10-16)19-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate?
methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate has a molecular weight of 270.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate is sourced from PubChem (CID 66369800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).