(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one

C11H14N2O2 — CID 124676535

IUPAC(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
SMILESCOc1cccc(N2C(=O)[C@H](N)[C@H]2C)c1
InChIInChI=1S/C11H14N2O2/c1-7-10(12)11(14)13(7)8-4-3-5-9(6-8)15-2/h3-7,10H,12H2,1-2H3/t7-,10-/m1/s1
InChIKeyLXQOBNROMWLEPK-GMSGAONNSA-N
MW206.25 g/mol
LogP0.76
Rot. Bonds2

About (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one

(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one (PubChem CID 124676535) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
PubChem CID124676535
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
SMILESCOc1cccc(N2C(=O)[C@H](N)[C@H]2C)c1
InChIInChI=1S/C11H14N2O2/c1-7-10(12)11(14)13(7)8-4-3-5-9(6-8)15-2/h3-7,10H,12H2,1-2H3/t7-,10-/m1/s1
InChIKeyLXQOBNROMWLEPK-GMSGAONNSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-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

Related Compounds

(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one
CID 112757920
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855
3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 102537012
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503896
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922
(3R,4S)-3-amino-4-(3-methoxyphenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503588
6-amino-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115003951
(1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one
CID 46850496
(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504031
(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504145
6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 78442416

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one (CID 124676535) is (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one is COc1cccc(N2C(=O)[C@H](N)[C@H]2C)c1.
What is the InChIKey of (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one?
The InChIKey is LXQOBNROMWLEPK-GMSGAONNSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-10(12)11(14)13(7)8-4-3-5-9(6-8)15-2/h3-7,10H,12H2,1-2H3/t7-,10-/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one?
(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one is sourced from PubChem (CID 124676535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).