tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate

C14H25NO3 — CID 144515725

IUPACtert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCOC1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(16)15-9-14(10-15)7-5-11(17-4)6-8-14/h11H,5-10H2,1-4H3
InChIKeyXQAWBWVSOZCCQH-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.81
Rot. Bonds1

About tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 144515725) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID144515725
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCOC1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(16)15-9-14(10-15)7-5-11(17-4)6-8-14/h11H,5-10H2,1-4H3
InChIKeyXQAWBWVSOZCCQH-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 176982512
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590
tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate
CID 167742184
tert-butyl (7S)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 167108536
tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 170617037
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 7-(cyclohexanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 163728766
tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218688
tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate
CID 170699661
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate (CID 144515725) is tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate is COC1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is XQAWBWVSOZCCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)18-12(16)15-9-14(10-15)7-5-11(17-4)6-8-14/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 144515725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).