tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate

C13H23NO2 — CID 130609664

IUPACtert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC2)CC1
InChIInChI=1S/C13H23NO2/c1-12(2,3)16-11(15)14-9-7-13(8-10-14)5-4-6-13/h4-10H2,1-3H3
InChIKeyACSXFLUEAYQDOJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.19
Rot. Bonds

About tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 130609664) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID130609664
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC2)CC1
InChIInChI=1S/C13H23NO2/c1-12(2,3)16-11(15)14-9-7-13(8-10-14)5-4-6-13/h4-10H2,1-3H3
InChIKeyACSXFLUEAYQDOJ-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
tert-butyl 9-(1-fluorocyclopropanecarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 171832484
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 9-bromo-3-azaspiro[5.5]undecane-3-carboxylate
CID 156503670
tert-butyl 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 66850495
tert-butyl 2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonane-7-carboxylate
CID 146310147
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 155894204
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate (CID 130609664) is tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCC2)CC1.
What is the InChIKey of tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ACSXFLUEAYQDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)16-11(15)14-9-7-13(8-10-14)5-4-6-13/h4-10H2,1-3H3.
What are the key properties of tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 130609664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).