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

C13H24N2O3 — CID 66371565

IUPACmethyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
SMILESCCNC(C)(CN1CC2CCC(C1)O2)C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-4-14-13(2,12(16)17-3)9-15-7-10-5-6-11(8-15)18-10/h10-11,14H,4-9H2,1-3H3
InChIKeyUWNKRBAJLGPUMM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.39
Rot. Bonds5

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

methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate (PubChem CID 66371565) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
PubChem CID66371565
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
SMILESCCNC(C)(CN1CC2CCC(C1)O2)C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-4-14-13(2,12(16)17-3)9-15-7-10-5-6-11(8-15)18-10/h10-11,14H,4-9H2,1-3H3
InChIKeyUWNKRBAJLGPUMM-UHFFFAOYSA-N
XLogP0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate with MolForge

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Related Compounds

methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66369800
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 103538112
methyl 2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 79174254
2-methyl-2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66371756
methyl 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropanoate
CID 55217174
ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanoate
CID 115561599
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol
CID 66371587
ethyl 2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propylamino)butanoate
CID 66371370
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide
CID 115561578
methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate
CID 79915866
methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
CID 102966583
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate (CID 66371565) is methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate is CCNC(C)(CN1CC2CCC(C1)O2)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The InChIKey is UWNKRBAJLGPUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-14-13(2,12(16)17-3)9-15-7-10-5-6-11(8-15)18-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
methyl 2-(ethylamino)-2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.39, 5 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-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate is sourced from PubChem (CID 66371565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).