(3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one

C12H15NO2 — CID 13004886

IUPAC(3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one
SMILESCO[C@@]1(C)C(=O)N(C)[C@H]1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(15-3)10(13(2)11(12)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3/t10-,12+/m0/s1
InChIKeyWOOVUBIJEITYNW-CMPLNLGQSA-N
MW205.26 g/mol
LogP1.60
Rot. Bonds2

About (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one

(3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one (PubChem CID 13004886) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one
PubChem CID13004886
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one
SMILESCO[C@@]1(C)C(=O)N(C)[C@H]1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-12(15-3)10(13(2)11(12)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3/t10-,12+/m0/s1
InChIKeyWOOVUBIJEITYNW-CMPLNLGQSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-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 (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one (CID 13004886) is (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one is CO[C@@]1(C)C(=O)N(C)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one?
The InChIKey is WOOVUBIJEITYNW-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(15-3)10(13(2)11(12)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3/t10-,12+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one?
(3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-1,3-dimethyl-4-phenylazetidin-2-one is sourced from PubChem (CID 13004886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).