dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate

C11H15NO5 — CID 70942700

IUPACdimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
SMILESCOC(=O)C1=C(O)CC2CCC1N2C(=O)OC
InChIInChI=1S/C11H15NO5/c1-16-10(14)9-7-4-3-6(5-8(9)13)12(7)11(15)17-2/h6-7,13H,3-5H2,1-2H3
InChIKeyHSPZHZTVXTWXDD-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.97
Rot. Bonds1

About dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate

dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate (PubChem CID 70942700) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
PubChem CID70942700
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namedimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
SMILESCOC(=O)C1=C(O)CC2CCC1N2C(=O)OC
InChIInChI=1S/C11H15NO5/c1-16-10(14)9-7-4-3-6(5-8(9)13)12(7)11(15)17-2/h6-7,13H,3-5H2,1-2H3
InChIKeyHSPZHZTVXTWXDD-UHFFFAOYSA-N
XLogP0.97
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-hydroxy-10-methyl-10-azabicyclo[4.3.1]dec-2-ene-2-carboxylate
CID 54735288
8-Tert-butyl 2-methyl 8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
CID 10221000
2-Methoxycarbonyl-3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid
CID 126650142
Dehydroecgonine
CID 129672166
9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate
CID 180350
O9-tert-Butyl O5-methyl (6R)-9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate
CID 180404
(1R,5S)-8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
CID 10586975
O8-tert-butyl O2-methyl (1R,5S)-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
CID 10825727
8-Tert-butoxycarbonyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
CID 18401005
3-Hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylic acid 8-tert-butyl ester 2-methyl ester
CID 58017291
Methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 59058358
8-O-butyl 2-O-methyl 8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
CID 67516294

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate?
The IUPAC name of dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate (CID 70942700) is dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate.
What is the SMILES notation for dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate?
The canonical SMILES for dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate is COC(=O)C1=C(O)CC2CCC1N2C(=O)OC.
What is the InChIKey of dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate?
The InChIKey is HSPZHZTVXTWXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-16-10(14)9-7-4-3-6(5-8(9)13)12(7)11(15)17-2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate?
dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate has a molecular weight of 241.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-hydroxy-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate is sourced from PubChem (CID 70942700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).