(1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol

C8H15NO4 — CID 102056099

IUPAC(1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol
SMILESC[C@]12C[C@@H](O)[C@H](O)[C@](O)(C[C@H]1O)N2
InChIInChI=1S/C8H15NO4/c1-7-2-4(10)6(12)8(13,9-7)3-5(7)11/h4-6,9-13H,2-3H2,1H3/t4-,5-,6+,7+,8-/m1/s1
InChIKeyWWGMSAFAAXKRQR-QQGCVABSSA-N
MW189.21 g/mol
LogP-2.09
Rot. Bonds

About (1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol

(1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol (PubChem CID 102056099) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol.

Molecular Properties

Compound Name(1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol
PubChem CID102056099
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol
SMILESC[C@]12C[C@@H](O)[C@H](O)[C@](O)(C[C@H]1O)N2
InChIInChI=1S/C8H15NO4/c1-7-2-4(10)6(12)8(13,9-7)3-5(7)11/h4-6,9-13H,2-3H2,1H3/t4-,5-,6+,7+,8-/m1/s1
InChIKeyWWGMSAFAAXKRQR-QQGCVABSSA-N
XLogP-2.09
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol?
The IUPAC name of (1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol (CID 102056099) is (1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol.
What is the SMILES notation for (1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol?
The canonical SMILES for (1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol is C[C@]12C[C@@H](O)[C@H](O)[C@](O)(C[C@H]1O)N2.
What is the InChIKey of (1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol?
The InChIKey is WWGMSAFAAXKRQR-QQGCVABSSA-N. The full InChI is InChI=1S/C8H15NO4/c1-7-2-4(10)6(12)8(13,9-7)3-5(7)11/h4-6,9-13H,2-3H2,1H3/t4-,5-,6+,7+,8-/m1/s1.
What are the key properties of (1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol?
(1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol has a molecular weight of 189.21 g/mol, XLogP of -2.09, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S,6R)-5-methyl-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol is sourced from PubChem (CID 102056099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).