ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C12H19NO4 — CID 4588469

IUPACethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=O)C(C)O2
InChIInChI=1S/C12H19NO4/c1-3-16-11(15)13-6-4-12(5-7-13)8-10(14)9(2)17-12/h9H,3-8H2,1-2H3
InChIKeyMJSGPUXKCNLSHS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.36
Rot. Bonds1

About ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 4588469) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID4588469
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nameethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=O)C(C)O2
InChIInChI=1S/C12H19NO4/c1-3-16-11(15)13-6-4-12(5-7-13)8-10(14)9(2)17-12/h9H,3-8H2,1-2H3
InChIKeyMJSGPUXKCNLSHS-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 4588469) is ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1CCC2(CC1)CC(=O)C(C)O2.
What is the InChIKey of ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is MJSGPUXKCNLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-16-11(15)13-6-4-12(5-7-13)8-10(14)9(2)17-12/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 4588469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).