tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C13H21NO4 — CID 45158734

IUPACtert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CO2
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h4-9H2,1-3H3
InChIKeyXDSCHYPLQWGQRC-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.75
Rot. Bonds

About tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 45158734) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID45158734
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Nametert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CO2
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h4-9H2,1-3H3
InChIKeyXDSCHYPLQWGQRC-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-Dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 10176401
8-Methyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 10352099
2,8,8-Trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide
CID 10448962
(2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 10012596
Tert-butyl 4-oxo-1-oxa-9-azaspiro(5.5)undecane-9-carboxylate
CID 57493827
Tert-butyl 4-oxo-1-oxa-8-azaspiro(4.5)decane-8-carboxylate
CID 83680190
Ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 4588469
Ethyl 2-oxo-4-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 10082452
(2R)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 10397468
2-Oxa-8-azaspiro(4.5)decane-8-carboxylic acid, 3-methyl-4-oxo-, 1,1-dimethylethyl ester, (3S)-
CID 124147971
ethyl (3S)-3-acetyl-2,3-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 395107
2,8,8-Trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one
CID 10448963

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 45158734) is tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CO2.
What is the InChIKey of tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is XDSCHYPLQWGQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h4-9H2,1-3H3.
What are the key properties of tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 45158734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).