(2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane

C11H19NO5 — CID 130356198

IUPAC(2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane
SMILESCO[C@H]1C[C@H]2[C@@H](CO1)O[C@@H]1[C@@H](OC)OCCN12
InChIInChI=1S/C11H19NO5/c1-13-9-5-7-8(6-16-9)17-10-11(14-2)15-4-3-12(7)10/h7-11H,3-6H2,1-2H3/t7-,8+,9+,10+,11-/m0/s1
InChIKeyJDRPOWHEFHLJPX-LXUNUROVSA-N
MW245.27 g/mol
LogP-0.22
Rot. Bonds2

About (2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane

(2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane (PubChem CID 130356198) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane.

Molecular Properties

Compound Name(2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane
PubChem CID130356198
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane
SMILESCO[C@H]1C[C@H]2[C@@H](CO1)O[C@@H]1[C@@H](OC)OCCN12
InChIInChI=1S/C11H19NO5/c1-13-9-5-7-8(6-16-9)17-10-11(14-2)15-4-3-12(7)10/h7-11H,3-6H2,1-2H3/t7-,8+,9+,10+,11-/m0/s1
InChIKeyJDRPOWHEFHLJPX-LXUNUROVSA-N
XLogP-0.22
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
The IUPAC name of (2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane (CID 130356198) is (2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane.
What is the SMILES notation for (2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
The canonical SMILES for (2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane is CO[C@H]1C[C@H]2[C@@H](CO1)O[C@@H]1[C@@H](OC)OCCN12.
What is the InChIKey of (2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
The InChIKey is JDRPOWHEFHLJPX-LXUNUROVSA-N. The full InChI is InChI=1S/C11H19NO5/c1-13-9-5-7-8(6-16-9)17-10-11(14-2)15-4-3-12(7)10/h7-11H,3-6H2,1-2H3/t7-,8+,9+,10+,11-/m0/s1.
What are the key properties of (2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
(2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane has a molecular weight of 245.27 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,7S,9R,10S)-4,10-dimethoxy-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane is sourced from PubChem (CID 130356198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).