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

C12H22N2O3 — CID 23548219

IUPACtert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC2(CCNC2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-7-16-12(9-14)4-5-13-8-12/h13H,4-9H2,1-3H3
InChIKeyVESCRSHLXRKQFF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.99
Rot. Bonds

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

tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 23548219) 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-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID23548219
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC2(CCNC2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-7-16-12(9-14)4-5-13-8-12/h13H,4-9H2,1-3H3
InChIKeyVESCRSHLXRKQFF-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate (CID 23548219) is tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCOC2(CCNC2)C1.
What is the InChIKey of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is VESCRSHLXRKQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-7-16-12(9-14)4-5-13-8-12/h13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-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-9-carboxylate is sourced from PubChem (CID 23548219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).