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

C10H12FNO2S — CID 19431795

IUPAC2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid
SMILESNC(CCSc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H12FNO2S/c11-7-1-3-8(4-2-7)15-6-5-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)
InChIKeyGHOKCCHRFLYGCC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds5

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

2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid (PubChem CID 19431795) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid
PubChem CID19431795
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid
SMILESNC(CCSc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H12FNO2S/c11-7-1-3-8(4-2-7)15-6-5-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)
InChIKeyGHOKCCHRFLYGCC-UHFFFAOYSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(4-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid?
The IUPAC name of 2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid (CID 19431795) is 2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid is NC(CCSc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid?
The InChIKey is GHOKCCHRFLYGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-7-1-3-8(4-2-7)15-6-5-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14).
What are the key properties of 2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid?
2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)sulfanylbutanoic acid is sourced from PubChem (CID 19431795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).