2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3NO3S — CID 79257722

IUPAC2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cc1cccs1
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)6-14(5-9(16)17)8(15)4-7-2-1-3-18-7/h1-3H,4-6H2,(H,16,17)
InChIKeyOWVGECFWNYPIFK-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.77
Rot. Bonds5

About 2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257722) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is 2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257722
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cc1cccs1
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)6-14(5-9(16)17)8(15)4-7-2-1-3-18-7/h1-3H,4-6H2,(H,16,17)
InChIKeyOWVGECFWNYPIFK-UHFFFAOYSA-N
XLogP1.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-thiophen-2-ylacetyl)-(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-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257722) is 2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Cc1cccs1.
What is the InChIKey of 2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OWVGECFWNYPIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c11-10(12,13)6-14(5-9(16)17)8(15)4-7-2-1-3-18-7/h1-3H,4-6H2,(H,16,17).
What are the key properties of 2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 281.25 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).