ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate

C11H19NO3 — CID 62215182

IUPACethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCCOC(=O)C1(O)CC2CCC(C1)N2C
InChIInChI=1S/C11H19NO3/c1-3-15-10(13)11(14)6-8-4-5-9(7-11)12(8)2/h8-9,14H,3-7H2,1-2H3
InChIKeyDFVXAHDTEUHTTO-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.54
Rot. Bonds2

About ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate

ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 62215182) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID62215182
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCCOC(=O)C1(O)CC2CCC(C1)N2C
InChIInChI=1S/C11H19NO3/c1-3-15-10(13)11(14)6-8-4-5-9(7-11)12(8)2/h8-9,14H,3-7H2,1-2H3
InChIKeyDFVXAHDTEUHTTO-UHFFFAOYSA-N
XLogP0.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate (CID 62215182) is ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate is CCOC(=O)C1(O)CC2CCC(C1)N2C.
What is the InChIKey of ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is DFVXAHDTEUHTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-15-10(13)11(14)6-8-4-5-9(7-11)12(8)2/h8-9,14H,3-7H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 62215182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).