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

C11H17NO4 — CID 135080971

IUPACdimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC2CCC1N2C(=O)OC
InChIInChI=1S/C11H17NO4/c1-15-10(13)8-5-3-7-4-6-9(8)12(7)11(14)16-2/h7-9H,3-6H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyXNCGRHZJLYJRCL-QJAFJHJLSA-N
MW227.26 g/mol
LogP1.17
Rot. Bonds1

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

dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate (PubChem CID 135080971) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
PubChem CID135080971
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namedimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC2CCC1N2C(=O)OC
InChIInChI=1S/C11H17NO4/c1-15-10(13)8-5-3-7-4-6-9(8)12(7)11(14)16-2/h7-9H,3-6H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyXNCGRHZJLYJRCL-QJAFJHJLSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
The IUPAC name of dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate (CID 135080971) is dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate.
What is the SMILES notation for dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
The canonical SMILES for dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate is COC(=O)[C@@H]1CCC2CCC1N2C(=O)OC.
What is the InChIKey of dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
The InChIKey is XNCGRHZJLYJRCL-QJAFJHJLSA-N. The full InChI is InChI=1S/C11H17NO4/c1-15-10(13)8-5-3-7-4-6-9(8)12(7)11(14)16-2/h7-9H,3-6H2,1-2H3/t7?,8-,9?/m1/s1.
What are the key properties of dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate is sourced from PubChem (CID 135080971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).