(1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide

C9H15NO4 — CID 122644896

IUPAC(1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide
SMILESCNC(=O)C1C[C@@H]2O[C@H](C1)[C@@H](O)[C@H]2O
InChIInChI=1S/C9H15NO4/c1-10-9(13)4-2-5-7(11)8(12)6(3-4)14-5/h4-8,11-12H,2-3H2,1H3,(H,10,13)/t4?,5-,6+,7-,8+
InChIKeyGYAXNFWLJGOWCF-UPGAHCIJSA-N
MW201.22 g/mol
LogP-1.37
Rot. Bonds1

About (1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide

(1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 122644896) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide
PubChem CID122644896
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide
SMILESCNC(=O)C1C[C@@H]2O[C@H](C1)[C@@H](O)[C@H]2O
InChIInChI=1S/C9H15NO4/c1-10-9(13)4-2-5-7(11)8(12)6(3-4)14-5/h4-8,11-12H,2-3H2,1H3,(H,10,13)/t4?,5-,6+,7-,8+
InChIKeyGYAXNFWLJGOWCF-UPGAHCIJSA-N
XLogP-1.37
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of (1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide (CID 122644896) is (1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for (1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for (1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide is CNC(=O)C1C[C@@H]2O[C@H](C1)[C@@H](O)[C@H]2O.
What is the InChIKey of (1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is GYAXNFWLJGOWCF-UPGAHCIJSA-N. The full InChI is InChI=1S/C9H15NO4/c1-10-9(13)4-2-5-7(11)8(12)6(3-4)14-5/h4-8,11-12H,2-3H2,1H3,(H,10,13)/t4?,5-,6+,7-,8+.
What are the key properties of (1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide?
(1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 201.22 g/mol, XLogP of -1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 122644896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).