(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol

C11H19NO5 — CID 121328319

IUPAC(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol
SMILESCO[C@H]1OCCN2[C@@H]1O[C@@H]1[C@H](C)OC(O)C[C@@H]12
InChIInChI=1S/C11H19NO5/c1-6-9-7(5-8(13)16-6)12-3-4-15-11(14-2)10(12)17-9/h6-11,13H,3-5H2,1-2H3/t6-,7-,8?,9+,10+,11-/m0/s1
InChIKeyBQKXVGFYLJUFOY-FBGGOLHMSA-N
MW245.27 g/mol
LogP-0.49
Rot. Bonds1

About (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol

(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol (PubChem CID 121328319) has the molecular formula C11H19NO5 and a molecular weight of 245.27 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]tridecan-4-ol.

Molecular Properties

Compound Name(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol
PubChem CID121328319
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol
SMILESCO[C@H]1OCCN2[C@@H]1O[C@@H]1[C@H](C)OC(O)C[C@@H]12
InChIInChI=1S/C11H19NO5/c1-6-9-7(5-8(13)16-6)12-3-4-15-11(14-2)10(12)17-9/h6-11,13H,3-5H2,1-2H3/t6-,7-,8?,9+,10+,11-/m0/s1
InChIKeyBQKXVGFYLJUFOY-FBGGOLHMSA-N
XLogP-0.49
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]tridecan-4-ol?
The IUPAC name of (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol (CID 121328319) is (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol.
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]tridecan-4-ol?
The canonical SMILES for (2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol is CO[C@H]1OCCN2[C@@H]1O[C@@H]1[C@H](C)OC(O)C[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]tridecan-4-ol?
The InChIKey is BQKXVGFYLJUFOY-FBGGOLHMSA-N. The full InChI is InChI=1S/C11H19NO5/c1-6-9-7(5-8(13)16-6)12-3-4-15-11(14-2)10(12)17-9/h6-11,13H,3-5H2,1-2H3/t6-,7-,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]tridecan-4-ol?
(2S,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol has a molecular weight of 245.27 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 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]tridecan-4-ol is sourced from PubChem (CID 121328319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).