methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate

C11H17NO3 — CID 14871258

IUPACmethyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1C(=O)NCC12CCCCC2
InChIInChI=1S/C11H17NO3/c1-15-10(14)8-9(13)12-7-11(8)5-3-2-4-6-11/h8H,2-7H2,1H3,(H,12,13)
InChIKeyCDTSTGVGQBWKSI-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.86
Rot. Bonds1

About methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate

methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate (PubChem CID 14871258) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate
PubChem CID14871258
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1C(=O)NCC12CCCCC2
InChIInChI=1S/C11H17NO3/c1-15-10(14)8-9(13)12-7-11(8)5-3-2-4-6-11/h8H,2-7H2,1H3,(H,12,13)
InChIKeyCDTSTGVGQBWKSI-UHFFFAOYSA-N
XLogP0.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate (CID 14871258) is methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate is COC(=O)C1C(=O)NCC12CCCCC2.
What is the InChIKey of methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is CDTSTGVGQBWKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-15-10(14)8-9(13)12-7-11(8)5-3-2-4-6-11/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate?
methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 14871258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).