tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate

C16H29NO3 — CID 155893365

IUPACtert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
SMILESCC1(O)CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H29NO3/c1-14(2,3)20-13(18)17-11-9-16(10-12-17)7-5-15(4,19)6-8-16/h19H,5-12H2,1-4H3
InChIKeyZOGCMWYHRMJXFI-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.33
Rot. Bonds

About tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate

tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate (PubChem CID 155893365) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
PubChem CID155893365
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
SMILESCC1(O)CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H29NO3/c1-14(2,3)20-13(18)17-11-9-16(10-12-17)7-5-15(4,19)6-8-16/h19H,5-12H2,1-4H3
InChIKeyZOGCMWYHRMJXFI-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonane-7-carboxylate
CID 146310147
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
tert-butyl 9-(1-fluorocyclopropanecarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 171832484
tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 155894204
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 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 66850495
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate (CID 155893365) is tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate is CC1(O)CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate?
The InChIKey is ZOGCMWYHRMJXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-14(2,3)20-13(18)17-11-9-16(10-12-17)7-5-15(4,19)6-8-16/h19H,5-12H2,1-4H3.
What are the key properties of tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate?
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 155893365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).