4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid

C11H15NO3S — CID 64695649

IUPAC4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid
SMILESCOc1ccc(SC(CCN)C(=O)O)cc1
InChIInChI=1S/C11H15NO3S/c1-15-8-2-4-9(5-3-8)16-10(6-7-12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)
InChIKeyWFJOJYONGAHUHF-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.59
Rot. Bonds6

About 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid

4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid (PubChem CID 64695649) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid
PubChem CID64695649
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid
SMILESCOc1ccc(SC(CCN)C(=O)O)cc1
InChIInChI=1S/C11H15NO3S/c1-15-8-2-4-9(5-3-8)16-10(6-7-12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)
InChIKeyWFJOJYONGAHUHF-UHFFFAOYSA-N
XLogP1.59
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic 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

(2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid
CID 129386650
2-(4-methoxyphenyl)sulfanyl-7-phenylheptanoic acid
CID 23047903
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-chlorophenyl)sulfanyl-3-(2,5-dimethoxyphenyl)propanoic acid
CID 133241169
3-amino-2-(4-methylphenyl)sulfanylpropanoic acid
CID 64695641
(2S)-2-(4-methoxyphenyl)sulfanyl-1,4-diphenylbutane-1,4-dione
CID 1471338
2-(4-chlorophenyl)sulfanyl-3-(3-methoxyphenyl)propanoic acid
CID 133241012
methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate
CID 132582668
(4-methoxyphenyl)methyl 2-phenylsulfanylbutanoate
CID 15953553
4-(4-methoxyphenyl)sulfanylpentanehydrazide
CID 63580974
2-(4-methoxyphenyl)sulfanylpentan-3-one
CID 60973114
4-[2-(4-chlorophenoxy)ethoxy]-2-(4-methylphenyl)sulfanylbutanoic acid
CID 19878732

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid?
The IUPAC name of 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid (CID 64695649) is 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid.
What is the SMILES notation for 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid?
The canonical SMILES for 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid is COc1ccc(SC(CCN)C(=O)O)cc1.
What is the InChIKey of 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid?
The InChIKey is WFJOJYONGAHUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-15-8-2-4-9(5-3-8)16-10(6-7-12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid?
4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid has a molecular weight of 241.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid is sourced from PubChem (CID 64695649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).