ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate

C13H21NO3 — CID 154702888

IUPACethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC1(CCCO1)C2
InChIInChI=1S/C13H21NO3/c1-2-16-12(15)14-10-4-5-11(14)9-13(8-10)6-3-7-17-13/h10-11H,2-9H2,1H3
InChIKeyNIKCUIVUJLTFFC-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.32
Rot. Bonds1

About ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate

ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate (PubChem CID 154702888) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate.

Molecular Properties

Compound Nameethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate
PubChem CID154702888
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC1(CCCO1)C2
InChIInChI=1S/C13H21NO3/c1-2-16-12(15)14-10-4-5-11(14)9-13(8-10)6-3-7-17-13/h10-11H,2-9H2,1H3
InChIKeyNIKCUIVUJLTFFC-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-oxaspiro[4.5]decane-7-carboxylate
CID 70215305
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
ethyl (5R,7R)-4,8-dioxadispiro[4.1.47.35]tetradecane-13-carboxylate
CID 15833866
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
3-cyclohex-2-en-1-yl-8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 58695815
ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70658238
8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 22958903
ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 73110477
ethyl (1R,5S)-3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 13091238
ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate
CID 79895269
ethyl (1'R,5'S)-spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]oct-6-ene]-8'-carboxylate
CID 10514146
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178

Frequently Asked Questions

What is the IUPAC name of ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate?
The IUPAC name of ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate (CID 154702888) is ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate.
What is the SMILES notation for ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate?
The canonical SMILES for ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate is CCOC(=O)N1C2CCC1CC1(CCCO1)C2.
What is the InChIKey of ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate?
The InChIKey is NIKCUIVUJLTFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-16-12(15)14-10-4-5-11(14)9-13(8-10)6-3-7-17-13/h10-11H,2-9H2,1H3.
What are the key properties of ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate?
ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-carboxylate is sourced from PubChem (CID 154702888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).