tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate

C12H20N2O4 — CID 67357095

IUPACtert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C12H20N2O4/c1-11(2,3)18-10(16)14-6-4-5-12(8-14)7-13-9(15)17-12/h4-8H2,1-3H3,(H,13,15)
InChIKeyXMXWDVORJLWWCH-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.50
Rot. Bonds

About tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 67357095) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID67357095
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C12H20N2O4/c1-11(2,3)18-10(16)14-6-4-5-12(8-14)7-13-9(15)17-12/h4-8H2,1-3H3,(H,13,15)
InChIKeyXMXWDVORJLWWCH-UHFFFAOYSA-N
XLogP1.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-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

tert-Butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 84805339
3-Ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20286526
5,5-Dimethyl-3-(piperidin-4-yl)-1,3-oxazolidin-2-one
CID 68502331
Tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
3a,5-dimethyl-4,6,7,7a-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 18685023
1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 18685037
3-Propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20286470
3-Butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20286551
8-Ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20622668
8,8-Dimethyl-2-oxo-1-oxa-3-aza-8-azoniaspiro[4.5]decane chloride
CID 46202673
8,8-Dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
CID 46202674
1-Oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56698909

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate (CID 67357095) is tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CNC(=O)O2)C1.
What is the InChIKey of tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is XMXWDVORJLWWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(2,3)18-10(16)14-6-4-5-12(8-14)7-13-9(15)17-12/h4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 67357095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).