8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate

C15H25NO4 — CID 155441267

IUPAC8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
SMILESCOC(=O)C1C(C)CC2CCC1N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-9-8-10-6-7-11(12(9)13(17)19-5)16(10)14(18)20-15(2,3)4/h9-12H,6-8H2,1-5H3
InChIKeyKKWMGXZROKMZNM-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.58
Rot. Bonds1

About 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate

8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate (PubChem CID 155441267) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate.

Molecular Properties

Compound Name8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
PubChem CID155441267
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
SMILESCOC(=O)C1C(C)CC2CCC1N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-9-8-10-6-7-11(12(9)13(17)19-5)16(10)14(18)20-15(2,3)4/h9-12H,6-8H2,1-5H3
InChIKeyKKWMGXZROKMZNM-UHFFFAOYSA-N
XLogP2.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate with MolForge

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Related Compounds

methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 11127215
Carbomethoxytropinone hydrochloride
CID 123131902
2-{8-[(Tert-butoxy)carbonyl]-8-azabicyclo[3.2.1]octan-3-yl}acetic acid
CID 70224725
2-(Carbomethoxy)-3-tropinone
CID 251911
Ethyl 2-{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}acetate
CID 53795717
8-[(Tert-butoxy)carbonyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 66801490
2-(3-Amino-8-((tert-butoxy)carbonyl)-8-azabicyclo(3.2.1)octan-3-yl)acetic acid
CID 137949433
2-(8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-fluoroacetic acid
CID 178344206
2-Carbomethoxy-3-tropinone
CID 13890823
Tropane-2b-carboxylic acid methyl ester
CID 129718805
Methyl (2R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 13890827
methyl (1R,5R)-1-(1-fluoropropyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 69293957

Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
The IUPAC name of 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate (CID 155441267) is 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate.
What is the SMILES notation for 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
The canonical SMILES for 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate is COC(=O)C1C(C)CC2CCC1N2C(=O)OC(C)(C)C.
What is the InChIKey of 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
The InChIKey is KKWMGXZROKMZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-9-8-10-6-7-11(12(9)13(17)19-5)16(10)14(18)20-15(2,3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-tert-butyl 2-O-methyl 3-methyl-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate is sourced from PubChem (CID 155441267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).