2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H13F3N2O3S — CID 79257784

IUPAC2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)NCc1cccs1)CC(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)7-16(6-10(18)19)5-9(17)15-4-8-2-1-3-20-8/h1-3H,4-7H2,(H,15,17)(H,18,19)
InChIKeyWUFJDSZHTRHLJE-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.31
Rot. Bonds7

About 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257784) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257784
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)NCc1cccs1)CC(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)7-16(6-10(18)19)5-9(17)15-4-8-2-1-3-20-8/h1-3H,4-7H2,(H,15,17)(H,18,19)
InChIKeyWUFJDSZHTRHLJE-UHFFFAOYSA-N
XLogP1.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 5177104
1-(Thiophen-2-ylmethyl) piperazine-2,6 dione
CID 66061669
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 2113338
N1-methyl-N2-(thiophen-2-ylmethyl)oxalamide
CID 40805400
Thenylalanine
CID 51690905
2-isocyano-N-(thiophen-2-ylmethyl)acetamide
CID 59099298
2-(4-acetylpiperazin-1-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 27067923
N1-(thiophen-2-ylmethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45584453
3,3,3-trifluoro-N-(thiophen-2-ylmethyl)propanamide
CID 45808089
ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 47030894
2-[2-hydroxyethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 56828367
methyl N-methyl-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]carbamate
CID 93619531

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257784) is 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(=O)NCc1cccs1)CC(F)(F)F.
What is the InChIKey of 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WUFJDSZHTRHLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)7-16(6-10(18)19)5-9(17)15-4-8-2-1-3-20-8/h1-3H,4-7H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 310.30 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).