2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid

C13H16FNO4S — CID 43361633

IUPAC2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)Cc1ccc(F)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C13H16FNO4S/c1-13(12(16)17,10-4-5-10)15-20(18,19)8-9-2-6-11(14)7-3-9/h2-3,6-7,10,15H,4-5,8H2,1H3,(H,16,17)
InChIKeyYBQWLMLFXJQLMG-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.50
Rot. Bonds6

About 2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid

2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid (PubChem CID 43361633) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
PubChem CID43361633
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)Cc1ccc(F)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C13H16FNO4S/c1-13(12(16)17,10-4-5-10)15-20(18,19)8-9-2-6-11(14)7-3-9/h2-3,6-7,10,15H,4-5,8H2,1H3,(H,16,17)
InChIKeyYBQWLMLFXJQLMG-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic 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-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid (CID 43361633) is 2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid is CC(NS(=O)(=O)Cc1ccc(F)cc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid?
The InChIKey is YBQWLMLFXJQLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-13(12(16)17,10-4-5-10)15-20(18,19)8-9-2-6-11(14)7-3-9/h2-3,6-7,10,15H,4-5,8H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid?
2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid has a molecular weight of 301.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid is sourced from PubChem (CID 43361633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).