2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C9H11F3N2O4S — CID 79258141

IUPAC2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CN1CSCC1=O
InChIInChI=1S/C9H11F3N2O4S/c10-9(11,12)4-13(2-8(17)18)6(15)1-14-5-19-3-7(14)16/h1-5H2,(H,17,18)
InChIKeyIKWOBQVROWRTIB-UHFFFAOYSA-N
MW300.26 g/mol
LogP-0.01
Rot. Bonds5

About 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258141) has the molecular formula C9H11F3N2O4S and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258141
Molecular FormulaC9H11F3N2O4S
Molecular Weight300.26 g/mol
Exact Mass300.04
IUPAC Name2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CN1CSCC1=O
InChIInChI=1S/C9H11F3N2O4S/c10-9(11,12)4-13(2-8(17)18)6(15)1-14-5-19-3-7(14)16/h1-5H2,(H,17,18)
InChIKeyIKWOBQVROWRTIB-UHFFFAOYSA-N
XLogP-0.01
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258141) is 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)CN1CSCC1=O.
What is the InChIKey of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IKWOBQVROWRTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4S/c10-9(11,12)4-13(2-8(17)18)6(15)1-14-5-19-3-7(14)16/h1-5H2,(H,17,18).
What are the key properties of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 300.26 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).