tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate

C11H20N2O3 — CID 71306048

IUPACtert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(COCCN2)C1
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-6-11(7-13)8-15-5-4-12-11/h12H,4-8H2,1-3H3
InChIKeyFFWXQOJNRSOCRP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.60
Rot. Bonds

About tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 71306048) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID71306048
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(COCCN2)C1
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-6-11(7-13)8-15-5-4-12-11/h12H,4-8H2,1-3H3
InChIKeyFFWXQOJNRSOCRP-UHFFFAOYSA-N
XLogP0.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate (CID 71306048) is tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(COCCN2)C1.
What is the InChIKey of tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is FFWXQOJNRSOCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-6-11(7-13)8-15-5-4-12-11/h12H,4-8H2,1-3H3.
What are the key properties of tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate?
tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 71306048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).