ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate

C14H23NO3 — CID 105360328

IUPACethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate
SMILESCCOC(=O)C1NC(=O)CC12CCCCCCC2
InChIInChI=1S/C14H23NO3/c1-2-18-13(17)12-14(10-11(16)15-12)8-6-4-3-5-7-9-14/h12H,2-10H2,1H3,(H,15,16)
InChIKeyRLDPATSSHIRSSU-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.17
Rot. Bonds2

About ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate

ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate (PubChem CID 105360328) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate
PubChem CID105360328
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate
SMILESCCOC(=O)C1NC(=O)CC12CCCCCCC2
InChIInChI=1S/C14H23NO3/c1-2-18-13(17)12-14(10-11(16)15-12)8-6-4-3-5-7-9-14/h12H,2-10H2,1H3,(H,15,16)
InChIKeyRLDPATSSHIRSSU-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate
CID 105360360
ethyl 9,9-dimethyl-3-oxo-2-azaspiro[4.4]nonane-1-carboxylate
CID 105360094
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
1-methyl-2-azaspiro[4.5]decan-3-one
CID 66108261
ethyl 3-(4-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylate
CID 105360222
ethyl 3-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360291
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
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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate?
The IUPAC name of ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate (CID 105360328) is ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate.
What is the SMILES notation for ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate?
The canonical SMILES for ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate is CCOC(=O)C1NC(=O)CC12CCCCCCC2.
What is the InChIKey of ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate?
The InChIKey is RLDPATSSHIRSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-18-13(17)12-14(10-11(16)15-12)8-6-4-3-5-7-9-14/h12H,2-10H2,1H3,(H,15,16).
What are the key properties of ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate?
ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.17, 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[4.7]dodecane-1-carboxylate is sourced from PubChem (CID 105360328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).