ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate

C12H21NO3 — CID 165447870

IUPACethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)C1COC2(CCCC(C)C2)N1
InChIInChI=1S/C12H21NO3/c1-3-15-11(14)10-8-16-12(13-10)6-4-5-9(2)7-12/h9-10,13H,3-8H2,1-2H3
InChIKeyUCQIOEARBSTZNM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.44
Rot. Bonds2

About ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate

ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate (PubChem CID 165447870) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
PubChem CID165447870
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)C1COC2(CCCC(C)C2)N1
InChIInChI=1S/C12H21NO3/c1-3-15-11(14)10-8-16-12(13-10)6-4-5-9(2)7-12/h9-10,13H,3-8H2,1-2H3
InChIKeyUCQIOEARBSTZNM-UHFFFAOYSA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate (CID 165447870) is ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate is CCOC(=O)C1COC2(CCCC(C)C2)N1.
What is the InChIKey of ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is UCQIOEARBSTZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-15-11(14)10-8-16-12(13-10)6-4-5-9(2)7-12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 165447870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).