(5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one

C10H17NO3 — CID 175887195

IUPAC(5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one
SMILESCOC[C@]1(CO)C(=O)[C@H]2CCCN1C2
InChIInChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-3-2-4-11(10)5-8/h8,12H,2-7H2,1H3/t8-,10+/m0/s1
InChIKeyOTLBHQABYINOCV-WCBMZHEXSA-N
MW199.25 g/mol
LogP-0.34
Rot. Bonds3

About (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one

(5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one (PubChem CID 175887195) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name(5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one
PubChem CID175887195
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one
SMILESCOC[C@]1(CO)C(=O)[C@H]2CCCN1C2
InChIInChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-3-2-4-11(10)5-8/h8,12H,2-7H2,1H3/t8-,10+/m0/s1
InChIKeyOTLBHQABYINOCV-WCBMZHEXSA-N
XLogP-0.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one?
The IUPAC name of (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one (CID 175887195) is (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one.
What is the SMILES notation for (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one?
The canonical SMILES for (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one is COC[C@]1(CO)C(=O)[C@H]2CCCN1C2.
What is the InChIKey of (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one?
The InChIKey is OTLBHQABYINOCV-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-3-2-4-11(10)5-8/h8,12H,2-7H2,1H3/t8-,10+/m0/s1.
What are the key properties of (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one?
(5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one has a molecular weight of 199.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-7-(hydroxymethyl)-7-(methoxymethyl)-1-azabicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 175887195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).