ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate

C12H21NO2 — CID 144539360

IUPACethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1CC12CCN(CC)CC2
InChIInChI=1S/C12H21NO2/c1-3-13-7-5-12(6-8-13)9-10(12)11(14)15-4-2/h10H,3-9H2,1-2H3
InChIKeyMCPJUASYAIWHOZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.67
Rot. Bonds3

About ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate

ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate (PubChem CID 144539360) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate
PubChem CID144539360
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1CC12CCN(CC)CC2
InChIInChI=1S/C12H21NO2/c1-3-13-7-5-12(6-8-13)9-10(12)11(14)15-4-2/h10H,3-9H2,1-2H3
InChIKeyMCPJUASYAIWHOZ-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(2-amino-3,4-dioxocyclobuten-1-yl)-6-azaspiro[2.5]octane-2-carboxylate
CID 167866072
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492
ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate
CID 166452993
ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate
CID 141202232
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate
CID 62395927
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
ethyl 2-(1-ethyl-4-hydroxyazepan-4-yl)-2-fluoroacetate
CID 79366817

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate?
The IUPAC name of ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate (CID 144539360) is ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate is CCOC(=O)C1CC12CCN(CC)CC2.
What is the InChIKey of ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate?
The InChIKey is MCPJUASYAIWHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-13-7-5-12(6-8-13)9-10(12)11(14)15-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate?
ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 144539360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).