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

C12H19NO3 — CID 59455401

IUPACethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C12H19NO3/c1-2-16-11(15)9-3-5-12(6-4-9)7-10(14)13-8-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyAIIUIMMFKSQURO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.25
Rot. Bonds2

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

ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate (PubChem CID 59455401) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate
PubChem CID59455401
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C12H19NO3/c1-2-16-11(15)9-3-5-12(6-4-9)7-10(14)13-8-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyAIIUIMMFKSQURO-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate (CID 59455401) is ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is AIIUIMMFKSQURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-16-11(15)9-3-5-12(6-4-9)7-10(14)13-8-12/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate?
ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 59455401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).