(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane

C11H19NO4 — CID 126719068

IUPAC(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane
SMILESCO[C@H]1OCCN2[C@@H]1O[C@@H]1[C@H](C)OCC[C@@H]12
InChIInChI=1S/C11H19NO4/c1-7-9-8(3-5-14-7)12-4-6-15-11(13-2)10(12)16-9/h7-11H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1
InChIKeyOVFUGYWBYKUTPH-DAWVFNFOSA-N
MW229.28 g/mol
LogP0.19
Rot. Bonds1

About (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane

(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane (PubChem CID 126719068) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane.

Molecular Properties

Compound Name(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane
PubChem CID126719068
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane
SMILESCO[C@H]1OCCN2[C@@H]1O[C@@H]1[C@H](C)OCC[C@@H]12
InChIInChI=1S/C11H19NO4/c1-7-9-8(3-5-14-7)12-4-6-15-11(13-2)10(12)16-9/h7-11H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1
InChIKeyOVFUGYWBYKUTPH-DAWVFNFOSA-N
XLogP0.19
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
The IUPAC name of (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane (CID 126719068) is (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane.
What is the SMILES notation for (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
The canonical SMILES for (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane is CO[C@H]1OCCN2[C@@H]1O[C@@H]1[C@H](C)OCC[C@@H]12.
What is the InChIKey of (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
The InChIKey is OVFUGYWBYKUTPH-DAWVFNFOSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7-9-8(3-5-14-7)12-4-6-15-11(13-2)10(12)16-9/h7-11H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1.
What are the key properties of (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane has a molecular weight of 229.28 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane is sourced from PubChem (CID 126719068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).