ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate

C10H15NO3 — CID 118294701

IUPACethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
SMILESCCOC(=O)N1CCC2(CC(=O)C2)C1
InChIInChI=1S/C10H15NO3/c1-2-14-9(13)11-4-3-10(7-11)5-8(12)6-10/h2-7H2,1H3
InChIKeyWLQAZYHEVHDGND-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.20
Rot. Bonds1

About ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate

ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 118294701) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
PubChem CID118294701
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
SMILESCCOC(=O)N1CCC2(CC(=O)C2)C1
InChIInChI=1S/C10H15NO3/c1-2-14-9(13)11-4-3-10(7-11)5-8(12)6-10/h2-7H2,1H3
InChIKeyWLQAZYHEVHDGND-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-butanoyl-6-azaspiro[3.4]octan-2-one
CID 130352650
6-(2-methoxyacetyl)-6-azaspiro[3.4]octan-2-one
CID 139295195
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 97291667
ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-[4-(2-oxoazetidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;methane;1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one
CID 160944788
ethyl 2-[4-[1-[acetyl(ethyl)amino]propyl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate;ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate;N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;methane
CID 158408994
ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 14371822
2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
CID 130256154
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
(1S,5S)-3-(6-ethoxycarbonyl-6-azaspiro[3.4]octan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 137361864
ethyl 2-(4-ethanimidoylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylate
CID 146626107
ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 163559510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate?
The IUPAC name of ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate (CID 118294701) is ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate.
What is the SMILES notation for ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate?
The canonical SMILES for ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate is CCOC(=O)N1CCC2(CC(=O)C2)C1.
What is the InChIKey of ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate?
The InChIKey is WLQAZYHEVHDGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-14-9(13)11-4-3-10(7-11)5-8(12)6-10/h2-7H2,1H3.
What are the key properties of ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate?
ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 118294701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).