2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

C8H11F3N2O3S — CID 79258411

IUPAC2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C8H11F3N2O3S/c9-8(10,11)3-13(1-6(14)15)7(16)5-2-17-4-12-5/h5,12H,1-4H2,(H,14,15)
InChIKeyPGRDTUHOXZPMCB-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.12
Rot. Bonds4

About 2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258411) has the molecular formula C8H11F3N2O3S and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258411
Molecular FormulaC8H11F3N2O3S
Molecular Weight272.25 g/mol
Exact Mass272.04
IUPAC Name2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C8H11F3N2O3S/c9-8(10,11)3-13(1-6(14)15)7(16)5-2-17-4-12-5/h5,12H,1-4H2,(H,14,15)
InChIKeyPGRDTUHOXZPMCB-UHFFFAOYSA-N
XLogP0.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258411) is 2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)C1CSCN1.
What is the InChIKey of 2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PGRDTUHOXZPMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3S/c9-8(10,11)3-13(1-6(14)15)7(16)5-2-17-4-12-5/h5,12H,1-4H2,(H,14,15).
What are the key properties of 2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 272.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).