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

C7H13NO3 — CID 11030102

IUPAC(1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol
SMILESO[C@H]1[C@H](O)C[C@@H]2N[C@H]1C[C@H]2O
InChIInChI=1S/C7H13NO3/c9-5-2-4-7(11)6(10)1-3(5)8-4/h3-11H,1-2H2/t3-,4-,5+,6+,7+/m0/s1
InChIKeyMOPMNYGCKDMKSI-PAMBMQIZSA-N
MW159.18 g/mol
LogP-1.80
Rot. Bonds

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

(1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol (PubChem CID 11030102) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol.

Molecular Properties

Compound Name(1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol
PubChem CID11030102
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol
SMILESO[C@H]1[C@H](O)C[C@@H]2N[C@H]1C[C@H]2O
InChIInChI=1S/C7H13NO3/c9-5-2-4-7(11)6(10)1-3(5)8-4/h3-11H,1-2H2/t3-,4-,5+,6+,7+/m0/s1
InChIKeyMOPMNYGCKDMKSI-PAMBMQIZSA-N
XLogP-1.80
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol?
The IUPAC name of (1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol (CID 11030102) is (1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol.
What is the SMILES notation for (1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol?
The canonical SMILES for (1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol is O[C@H]1[C@H](O)C[C@@H]2N[C@H]1C[C@H]2O.
What is the InChIKey of (1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol?
The InChIKey is MOPMNYGCKDMKSI-PAMBMQIZSA-N. The full InChI is InChI=1S/C7H13NO3/c9-5-2-4-7(11)6(10)1-3(5)8-4/h3-11H,1-2H2/t3-,4-,5+,6+,7+/m0/s1.
What are the key properties of (1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol?
(1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol has a molecular weight of 159.18 g/mol, XLogP of -1.80, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol is sourced from PubChem (CID 11030102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).