2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid

C11H15NO2S — CID 43386086

IUPAC2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
SMILESCSc1ccc(CN(C)CC(=O)O)cc1
InChIInChI=1S/C11H15NO2S/c1-12(8-11(13)14)7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyCIEOAMHPPJYEIX-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.92
Rot. Bonds5

About 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid

2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid (PubChem CID 43386086) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
PubChem CID43386086
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
SMILESCSc1ccc(CN(C)CC(=O)O)cc1
InChIInChI=1S/C11H15NO2S/c1-12(8-11(13)14)7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyCIEOAMHPPJYEIX-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid 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

2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465
N,N,N'-trimethyl-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 30326989
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9199067
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 62734863
2-[(4-ethylsulfonylphenyl)methyl-methylamino]acetic acid
CID 98018398
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
CID 155421471
2-[[4-(dibenzylcarbamoyl)phenyl]methyl-methylamino]acetic acid
CID 59826363
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2438629

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid (CID 43386086) is 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid is CSc1ccc(CN(C)CC(=O)O)cc1.
What is the InChIKey of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid?
The InChIKey is CIEOAMHPPJYEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12(8-11(13)14)7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid?
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid has a molecular weight of 225.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 43386086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).