oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate

C16H27NO3 — CID 59614228

IUPACoxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)C1CC2CCC(C1)N2C(=O)OC1CCCO1
InChIInChI=1S/C16H27NO3/c1-16(2,3)11-9-12-6-7-13(10-11)17(12)15(18)20-14-5-4-8-19-14/h11-14H,4-10H2,1-3H3
InChIKeyFBVUKWNHYOCYOW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.55
Rot. Bonds1

About oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate

oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 59614228) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nameoxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID59614228
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameoxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)C1CC2CCC(C1)N2C(=O)OC1CCCO1
InChIInChI=1S/C16H27NO3/c1-16(2,3)11-9-12-6-7-13(10-11)17(12)15(18)20-14-5-4-8-19-14/h11-14H,4-10H2,1-3H3
InChIKeyFBVUKWNHYOCYOW-UHFFFAOYSA-N
XLogP3.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 70825449
2,2-difluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614205
(1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 164785292
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
oxolan-2-yl 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 90142707
bis(oxolan-2-yl) (E)-but-2-enedioate
CID 70212564
1-[(1S,5R)-3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-(dimethylamino)ethanone
CID 164785458
1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-4,4-dimethylpentan-1-one
CID 171421265
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 169176648
(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-cyclobutylmethanone;3-tert-butyl-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methane;bis(2-methylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate)
CID 157372944
oxolan-2-yl 2-methyl-2-(methylamino)pentanoate
CID 170233945

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 59614228) is oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)C1CC2CCC(C1)N2C(=O)OC1CCCO1.
What is the InChIKey of oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is FBVUKWNHYOCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2,3)11-9-12-6-7-13(10-11)17(12)15(18)20-14-5-4-8-19-14/h11-14H,4-10H2,1-3H3.
What are the key properties of oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 59614228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).