tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate

C14H25NO2 — CID 176906333

IUPACtert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate
SMILESCC(C)(C)OC(=O)CC1CCC2(CC1)CNC2
InChIInChI=1S/C14H25NO2/c1-13(2,3)17-12(16)8-11-4-6-14(7-5-11)9-15-10-14/h11,15H,4-10H2,1-3H3
InChIKeyRQSNSNJRASYWNN-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds2

About tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate

tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate (PubChem CID 176906333) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate
PubChem CID176906333
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate
SMILESCC(C)(C)OC(=O)CC1CCC2(CC1)CNC2
InChIInChI=1S/C14H25NO2/c1-13(2,3)17-12(16)8-11-4-6-14(7-5-11)9-15-10-14/h11,15H,4-10H2,1-3H3
InChIKeyRQSNSNJRASYWNN-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate?
The IUPAC name of tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate (CID 176906333) is tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate is CC(C)(C)OC(=O)CC1CCC2(CC1)CNC2.
What is the InChIKey of tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate?
The InChIKey is RQSNSNJRASYWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,3)17-12(16)8-11-4-6-14(7-5-11)9-15-10-14/h11,15H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate?
tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate has a molecular weight of 239.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate is sourced from PubChem (CID 176906333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).