(2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one

C11H15NO2S — CID 54567584

IUPAC(2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one
SMILESCOc1ccc(C(=O)[C@@H](N)CSC)cc1
InChIInChI=1S/C11H15NO2S/c1-14-9-5-3-8(4-6-9)11(13)10(12)7-15-2/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1
InChIKeyZUYFZSXIZHEKGN-JTQLQIEISA-N
MW225.31 g/mol
LogP1.57
Rot. Bonds5

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

(2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one (PubChem CID 54567584) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one
PubChem CID54567584
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one
SMILESCOc1ccc(C(=O)[C@@H](N)CSC)cc1
InChIInChI=1S/C11H15NO2S/c1-14-9-5-3-8(4-6-9)11(13)10(12)7-15-2/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1
InChIKeyZUYFZSXIZHEKGN-JTQLQIEISA-N
XLogP1.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-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

[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate
CID 11323292
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 10867909
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
sodium;2,2-dihydroxy-1-(4-methoxyphenyl)ethanone;hydride
CID 173420090
methyl (2S)-2-chloro-3-(4-methoxyphenyl)-3-oxopropanoate
CID 98701330
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one (CID 54567584) is (2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one is COc1ccc(C(=O)[C@@H](N)CSC)cc1.
What is the InChIKey of (2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one?
The InChIKey is ZUYFZSXIZHEKGN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-9-5-3-8(4-6-9)11(13)10(12)7-15-2/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one?
(2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one has a molecular weight of 225.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 54567584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).