2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C10H17F3N2O5S — CID 79265044

IUPAC2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O5S/c1-3-4-21(19,20)14-7(2)9(18)15(5-8(16)17)6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyYBACJJZCGCEEDE-UHFFFAOYSA-N
MW334.32 g/mol
LogP0.18
Rot. Bonds8

About 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265044) has the molecular formula C10H17F3N2O5S and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265044
Molecular FormulaC10H17F3N2O5S
Molecular Weight334.32 g/mol
Exact Mass334.08
IUPAC Name2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O5S/c1-3-4-21(19,20)14-7(2)9(18)15(5-8(16)17)6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyYBACJJZCGCEEDE-UHFFFAOYSA-N
XLogP0.18
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265044) is 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid is CCCS(=O)(=O)NC(C)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YBACJJZCGCEEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O5S/c1-3-4-21(19,20)14-7(2)9(18)15(5-8(16)17)6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 334.32 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylsulfonylamino)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).