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

C12H22N2O3 — CID 82386805

IUPACtert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC12CCNC2
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-7-16-9-12(14)4-5-13-8-12/h13H,4-9H2,1-3H3
InChIKeyFZPWDLBSDBPVHO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.99
Rot. Bonds

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

tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate (PubChem CID 82386805) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate
PubChem CID82386805
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC12CCNC2
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-7-16-9-12(14)4-5-13-8-12/h13H,4-9H2,1-3H3
InChIKeyFZPWDLBSDBPVHO-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 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate?
The IUPAC name of tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate (CID 82386805) is tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate is CC(C)(C)OC(=O)N1CCOCC12CCNC2.
What is the InChIKey of tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate?
The InChIKey is FZPWDLBSDBPVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-7-16-9-12(14)4-5-13-8-12/h13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate?
tert-butyl 9-oxa-2,6-diazaspiro[4.5]decane-6-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 9-oxa-2,6-diazaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 82386805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).