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

C13H21NO3 — CID 70326827

IUPACcyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCC1(O)CC2CCC(C1)N2C(=O)OC1CC1
InChIInChI=1S/C13H21NO3/c1-2-13(16)7-9-3-4-10(8-13)14(9)12(15)17-11-5-6-11/h9-11,16H,2-8H2,1H3
InChIKeyNALNUKHDXLNVSH-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.05
Rot. Bonds2

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

cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 70326827) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Namecyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID70326827
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namecyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCC1(O)CC2CCC(C1)N2C(=O)OC1CC1
InChIInChI=1S/C13H21NO3/c1-2-13(16)7-9-3-4-10(8-13)14(9)12(15)17-11-5-6-11/h9-11,16H,2-8H2,1H3
InChIKeyNALNUKHDXLNVSH-UHFFFAOYSA-N
XLogP2.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 70326827) is cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate is CCC1(O)CC2CCC(C1)N2C(=O)OC1CC1.
What is the InChIKey of cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is NALNUKHDXLNVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-13(16)7-9-3-4-10(8-13)14(9)12(15)17-11-5-6-11/h9-11,16H,2-8H2,1H3.
What are the key properties of cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 70326827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).