dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate

C12H19NO4 — CID 175052903

IUPACdimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate
SMILESCOC(=O)C1CC[C@@H]2CC[C@@]1(C(=O)OC)N2C
InChIInChI=1S/C12H19NO4/c1-13-8-4-5-9(10(14)16-2)12(13,7-6-8)11(15)17-3/h8-9H,4-7H2,1-3H3/t8-,9?,12-/m1/s1
InChIKeyUWOUKYLDEHOBGT-YKXYSFTHSA-N
MW241.29 g/mol
LogP0.58
Rot. Bonds2

About dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate

dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate (PubChem CID 175052903) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate
PubChem CID175052903
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namedimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate
SMILESCOC(=O)C1CC[C@@H]2CC[C@@]1(C(=O)OC)N2C
InChIInChI=1S/C12H19NO4/c1-13-8-4-5-9(10(14)16-2)12(13,7-6-8)11(15)17-3/h8-9H,4-7H2,1-3H3/t8-,9?,12-/m1/s1
InChIKeyUWOUKYLDEHOBGT-YKXYSFTHSA-N
XLogP0.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 574541
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7-O-tert-butyl 1-O-methyl (1R,2R,4S)-2-hydroxy-7-azabicyclo[2.2.1]heptane-1,7-dicarboxylate
CID 101179984
methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate
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methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
CID 124705910
methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate
CID 146294452
dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate
CID 102306290
methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate
CID 177208928
dimethyl 1-(chloromethyl)cyclohexane-1,2-dicarboxylate
CID 13029056
cis-dimethyl (1S,2R)-1-(1,3-dioxoisoindol-2-yl)cyclopropane-1,2-dicarboxylate
CID 11255119
cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate
CID 10986985
methyl (4S)-7-methylidenespiro[2.4]heptane-4-carboxylate
CID 639206

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate?
The IUPAC name of dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate (CID 175052903) is dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate?
The canonical SMILES for dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate is COC(=O)C1CC[C@@H]2CC[C@@]1(C(=O)OC)N2C.
What is the InChIKey of dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate?
The InChIKey is UWOUKYLDEHOBGT-YKXYSFTHSA-N. The full InChI is InChI=1S/C12H19NO4/c1-13-8-4-5-9(10(14)16-2)12(13,7-6-8)11(15)17-3/h8-9H,4-7H2,1-3H3/t8-,9?,12-/m1/s1.
What are the key properties of dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate?
dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octane-1,2-dicarboxylate is sourced from PubChem (CID 175052903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).