tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate

C20H35NO3 — CID 176982512

IUPACtert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCOC1CCC(C2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)CC1
InChIInChI=1S/C20H35NO3/c1-19(2,3)24-18(22)21-13-20(14-21)11-9-16(10-12-20)15-5-7-17(23-4)8-6-15/h15-17H,5-14H2,1-4H3
InChIKeyHUJQLYAOXJPSTA-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.62
Rot. Bonds2

About tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 176982512) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID176982512
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Nametert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCOC1CCC(C2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)CC1
InChIInChI=1S/C20H35NO3/c1-19(2,3)24-18(22)21-13-20(14-21)11-9-16(10-12-20)15-5-7-17(23-4)8-6-15/h15-17H,5-14H2,1-4H3
InChIKeyHUJQLYAOXJPSTA-UHFFFAOYSA-N
XLogP4.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 144515725
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-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate
CID 170699661
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
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-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate (CID 176982512) is tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate is COC1CCC(C2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)CC1.
What is the InChIKey of tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is HUJQLYAOXJPSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-19(2,3)24-18(22)21-13-20(14-21)11-9-16(10-12-20)15-5-7-17(23-4)8-6-15/h15-17H,5-14H2,1-4H3.
What are the key properties of tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 337.50 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 176982512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).