2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3NO3S — CID 79258966

IUPAC2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cc1ccsc1
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)6-14(4-9(16)17)8(15)3-7-1-2-18-5-7/h1-2,5H,3-4,6H2,(H,16,17)
InChIKeyUNAJIDGLYWOMKS-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.77
Rot. Bonds5

About 2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258966) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is 2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258966
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cc1ccsc1
InChIInChI=1S/C10H10F3NO3S/c11-10(12,13)6-14(4-9(16)17)8(15)3-7-1-2-18-5-7/h1-2,5H,3-4,6H2,(H,16,17)
InChIKeyUNAJIDGLYWOMKS-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

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Related Compounds

3-Thiophen-3-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 328216
(3R)-1-(2-thiophen-3-ylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 129379112
4-Thiophen-3-yl-1-[3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]-2,5-dihydropyrrole-2-carboxylic acid
CID 20428607
4-thiophen-3-yl-1-[(2S)-3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]-2,5-dihydropyrrole-2-carboxylic acid
CID 53996500
tert-butyl-[(1R)-2-fluoro-2-oxo-1-thiophen-3-ylethyl]carbamic acid
CID 89370593
2,2-Difluoro-1-morpholin-4-yl-2-thiophen-3-ylethanone
CID 117638127
1-(2-Thiophen-3-ylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710683
2-[(3-Methylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990123
2-[(2-Thiophen-2-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257722
2-[2-Thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257795
2-[3-Thiophen-2-ylpropanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79260851
2-[(3-Ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261549

Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258966) is 2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Cc1ccsc1.
What is the InChIKey of 2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UNAJIDGLYWOMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c11-10(12,13)6-14(4-9(16)17)8(15)3-7-1-2-18-5-7/h1-2,5H,3-4,6H2,(H,16,17).
What are the key properties of 2-[(2-thiophen-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-thiophen-3-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-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).