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

C8H15NO2 — CID 6324757

IUPAC(3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol
SMILESCN1C2C[C@H](O)C[C@H]1[C@H](O)C2
InChIInChI=1S/C8H15NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5-8,10-11H,2-4H2,1H3/t5?,6-,7-,8+/m0/s1
InChIKeyQWVUOVZJBNQSNS-DDQKOSFYSA-N
MW157.21 g/mol
LogP-0.43
Rot. Bonds

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

(3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol (PubChem CID 6324757) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol.

Molecular Properties

Compound Name(3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol
PubChem CID6324757
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol
SMILESCN1C2C[C@H](O)C[C@H]1[C@H](O)C2
InChIInChI=1S/C8H15NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5-8,10-11H,2-4H2,1H3/t5?,6-,7-,8+/m0/s1
InChIKeyQWVUOVZJBNQSNS-DDQKOSFYSA-N
XLogP-0.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol?
The IUPAC name of (3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol (CID 6324757) is (3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol.
What is the SMILES notation for (3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol?
The canonical SMILES for (3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol is CN1C2C[C@H](O)C[C@H]1[C@H](O)C2.
What is the InChIKey of (3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol?
The InChIKey is QWVUOVZJBNQSNS-DDQKOSFYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5-8,10-11H,2-4H2,1H3/t5?,6-,7-,8+/m0/s1.
What are the key properties of (3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol?
(3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol has a molecular weight of 157.21 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol is sourced from PubChem (CID 6324757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).