tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate

C12H22N2O3 — CID 82386799

IUPACtert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CNCCO2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-4-12(9-14)8-13-5-7-16-12/h13H,4-9H2,1-3H3
InChIKeyGEHLPPCOKTWOOG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.99
Rot. Bonds

About tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate

tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 82386799) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
PubChem CID82386799
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CNCCO2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-4-12(9-14)8-13-5-7-16-12/h13H,4-9H2,1-3H3
InChIKeyGEHLPPCOKTWOOG-UHFFFAOYSA-N
XLogP0.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 170651649
2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 163569785
tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate
CID 71305747
2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 145241983
tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
tert-butyl 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171919158
tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 166115550
2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 125113172
tert-butyl 4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 151011850
tert-butyl 3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 176720221
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate (CID 82386799) is tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CNCCO2)C1.
What is the InChIKey of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is GEHLPPCOKTWOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-4-12(9-14)8-13-5-7-16-12/h13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate?
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 82386799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).