ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate

C13H21NO3 — CID 105360094

IUPACethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate
SMILESCCOC(=O)C1NC(=O)CC12CCCC2(C)C
InChIInChI=1S/C13H21NO3/c1-4-17-11(16)10-13(8-9(15)14-10)7-5-6-12(13,2)3/h10H,4-8H2,1-3H3,(H,14,15)
InChIKeyVHGYVUZDTWFSAW-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.63
Rot. Bonds2

About ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate

ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate (PubChem CID 105360094) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate.

Molecular Properties

Compound Nameethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate
PubChem CID105360094
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate
SMILESCCOC(=O)C1NC(=O)CC12CCCC2(C)C
InChIInChI=1S/C13H21NO3/c1-4-17-11(16)10-13(8-9(15)14-10)7-5-6-12(13,2)3/h10H,4-8H2,1-3H3,(H,14,15)
InChIKeyVHGYVUZDTWFSAW-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-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
ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate
CID 105360360
ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
CID 105360222
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
ethyl 3-benzyl-3-ethyl-5-oxopyrrolidine-2-carboxylate
CID 105360076
ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate
CID 105360270
2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate
CID 124518587
7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate
CID 178200149

Frequently Asked Questions

What is the IUPAC name of ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate?
The IUPAC name of ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate (CID 105360094) is ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate.
What is the SMILES notation for ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate?
The canonical SMILES for ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate is CCOC(=O)C1NC(=O)CC12CCCC2(C)C.
What is the InChIKey of ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate?
The InChIKey is VHGYVUZDTWFSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-17-11(16)10-13(8-9(15)14-10)7-5-6-12(13,2)3/h10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate?
ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate is sourced from PubChem (CID 105360094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).