ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate

C16H27NO3 — CID 105360360

IUPACethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate
SMILESCCOC(=O)C1NC(=O)CC12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C16H27NO3/c1-6-20-13(19)12-16(7-11(18)17-12)9-14(2,3)8-15(4,5)10-16/h12H,6-10H2,1-5H3,(H,17,18)
InChIKeyHVUWWMJFLMZDGF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.66
Rot. Bonds2

About ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate

ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate (PubChem CID 105360360) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Nameethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate
PubChem CID105360360
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate
SMILESCCOC(=O)C1NC(=O)CC12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C16H27NO3/c1-6-20-13(19)12-16(7-11(18)17-12)9-14(2,3)8-15(4,5)10-16/h12H,6-10H2,1-5H3,(H,17,18)
InChIKeyHVUWWMJFLMZDGF-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate
CID 105360328
2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate
CID 124518587
ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate
CID 105360094
ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
CID 105360222
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate
CID 178200149
ethyl 3-benzyl-3-ethyl-5-oxopyrrolidine-2-carboxylate
CID 105360076
ethyl 3-(2-bromophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
CID 105360114
ethyl 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylate
CID 105360348
ethyl 3-(4-bromothiophen-2-yl)-3-methyl-5-oxopyrrolidine-2-carboxylate
CID 107355624
ethyl 3-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360291
ethyl 3-(furan-2-ylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
CID 105360230

Frequently Asked Questions

What is the IUPAC name of ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate?
The IUPAC name of ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate (CID 105360360) is ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate is CCOC(=O)C1NC(=O)CC12CC(C)(C)CC(C)(C)C2.
What is the InChIKey of ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate?
The InChIKey is HVUWWMJFLMZDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-20-13(19)12-16(7-11(18)17-12)9-14(2,3)8-15(4,5)10-16/h12H,6-10H2,1-5H3,(H,17,18).
What are the key properties of ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate?
ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 105360360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).