methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate

C11H15NO5 — CID 159130448

IUPACmethyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate
SMILESCOC(=O)[C@@]12COCN1C(=O)[C@@H]1CCO[C@@]12C
InChIInChI=1S/C11H15NO5/c1-10-7(3-4-17-10)8(13)12-6-16-5-11(10,12)9(14)15-2/h7H,3-6H2,1-2H3/t7-,10-,11+/m0/s1
InChIKeyKGVAIUZMHOSJSH-BKDNQFJXSA-N
MW241.24 g/mol
LogP-0.48
Rot. Bonds1

About methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate

methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate (PubChem CID 159130448) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate
PubChem CID159130448
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namemethyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate
SMILESCOC(=O)[C@@]12COCN1C(=O)[C@@H]1CCO[C@@]12C
InChIInChI=1S/C11H15NO5/c1-10-7(3-4-17-10)8(13)12-6-16-5-11(10,12)9(14)15-2/h7H,3-6H2,1-2H3/t7-,10-,11+/m0/s1
InChIKeyKGVAIUZMHOSJSH-BKDNQFJXSA-N
XLogP-0.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate with MolForge

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Related Compounds

methyl (1S,2R,6S,9S)-9-tert-butyl-2-methyl-4,7-dioxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate
CID 57872226
methyl (1R,2S,4R,6R,9R)-9-tert-butyl-4-(iodomethyl)-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate
CID 53238415
methyl (1S,2R,6S,9S)-9-tert-butyl-2-methyl-4,7-dioxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate
CID 139091502
(1R,4R,7S,8R)-4-tert-butyl-8-hydroxy-7-methyl-3,10-dioxa-5-azatricyclo[6.3.0.01,5]undecane-6,11-dione
CID 139193002
methyl (3R,6R,7S,7aR)-3-tert-butyl-7-hydroxy-6-(2-hydroxyethyl)-7-methyl-5-oxo-3,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-7a-carboxylate
CID 46703272
methyl (1R,2S,6R,9R)-9-tert-butyl-2-methyl-4,7-dioxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate
CID 46704165
methyl (3aR,6S,6aS)-6-formyl-5,6a-dimethyl-2,4-dioxo-3,3a-dihydrofuro[2,3-c]pyrrole-6-carboxylate
CID 57872149
(3aR,6S,6aS)-5,6,6a-trimethyl-2,4-dioxo-3,3a-dihydrofuro[2,3-c]pyrrole-6-carbaldehyde
CID 57872150
methyl (3R,6R,7S,7aR)-7-hydroxy-6-(2-hydroxyethyl)-3,7-dimethyl-5-oxo-3,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-7a-carboxylate
CID 57872152
methyl (3aR,6R,6aS)-6-(hydroxymethyl)-5,6a-dimethyl-2,4-dioxo-3,3a-dihydrofuro[2,3-c]pyrrole-6-carboxylate
CID 57872153
methyl (1R,2S,6R,9R)-2,4,9-trimethyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate
CID 57872164
5,6,6a-Trimethyl-2,4-dioxo-3,3a-dihydrofuro[2,3-c]pyrrole-6-carbaldehyde
CID 57872176

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate?
The IUPAC name of methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate (CID 159130448) is methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate is COC(=O)[C@@]12COCN1C(=O)[C@@H]1CCO[C@@]12C.
What is the InChIKey of methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate?
The InChIKey is KGVAIUZMHOSJSH-BKDNQFJXSA-N. The full InChI is InChI=1S/C11H15NO5/c1-10-7(3-4-17-10)8(13)12-6-16-5-11(10,12)9(14)15-2/h7H,3-6H2,1-2H3/t7-,10-,11+/m0/s1.
What are the key properties of methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate?
methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate has a molecular weight of 241.24 g/mol, XLogP of -0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,6R)-2-methyl-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate is sourced from PubChem (CID 159130448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).