ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate

C13H19NO5 — CID 123163602

IUPACethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)C1C(=O)NC2(CCC(OC)CC2)C1=O
InChIInChI=1S/C13H19NO5/c1-3-19-12(17)9-10(15)13(14-11(9)16)6-4-8(18-2)5-7-13/h8-9H,3-7H2,1-2H3,(H,14,16)
InChIKeyHRSMOBJCSHVDDM-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.19
Rot. Bonds3

About ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate

ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate (PubChem CID 123163602) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate
PubChem CID123163602
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Nameethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)C1C(=O)NC2(CCC(OC)CC2)C1=O
InChIInChI=1S/C13H19NO5/c1-3-19-12(17)9-10(15)13(14-11(9)16)6-4-8(18-2)5-7-13/h8-9H,3-7H2,1-2H3,(H,14,16)
InChIKeyHRSMOBJCSHVDDM-UHFFFAOYSA-N
XLogP0.19
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate with MolForge

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Related Compounds

3-(2-bromo-5-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 77256763
ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
CID 143528155
3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 91599739
ethyl 3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-ene-4-carboxylate
CID 142775888
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate;ethane
CID 143608016
methyl 8,10-dioxo-7-azadispiro[2.0.24.43]decane-9-carboxylate
CID 59558623
ethyl 5,6-dimethyl-2,4-dioxo-1H-pyridine-3-carboxylate
CID 76851838
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
[3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 59758675
[4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-yl] ethyl carbonate
CID 71079165
ethyl 1-[hydroxy-(4-methoxycyclohexyl)methyl]-4-methoxycyclohexane-1-carboxylate
CID 68626423
8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione
CID 90903261

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate (CID 123163602) is ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate is CCOC(=O)C1C(=O)NC2(CCC(OC)CC2)C1=O.
What is the InChIKey of ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is HRSMOBJCSHVDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-3-19-12(17)9-10(15)13(14-11(9)16)6-4-8(18-2)5-7-13/h8-9H,3-7H2,1-2H3,(H,14,16).
What are the key properties of ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate?
ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 123163602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).