2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C11H13F3N2O3S — CID 79266105

IUPAC2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC(F)(F)F)c1cccs1
InChIInChI=1S/C11H13F3N2O3S/c1-7(8-3-2-4-20-8)15-10(19)16(5-9(17)18)6-11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyBEVAUSXBTKALNS-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.47
Rot. Bonds5

About 2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266105) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266105
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC(F)(F)F)c1cccs1
InChIInChI=1S/C11H13F3N2O3S/c1-7(8-3-2-4-20-8)15-10(19)16(5-9(17)18)6-11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyBEVAUSXBTKALNS-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266105) is 2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CC(NC(=O)N(CC(=O)O)CC(F)(F)F)c1cccs1.
What is the InChIKey of 2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is BEVAUSXBTKALNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-7(8-3-2-4-20-8)15-10(19)16(5-9(17)18)6-11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 310.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-thiophen-2-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).