2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3N3O5 — CID 79264831

IUPAC2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H10F3N3O5/c11-10(12,13)5-16(4-8(19)20)7(18)3-15-2-1-6(17)14-9(15)21/h1-2H,3-5H2,(H,19,20)(H,14,17,21)
InChIKeyYWQOACUBVWNDDU-UHFFFAOYSA-N
MW309.20 g/mol
LogP-0.99
Rot. Bonds5

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

2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264831) has the molecular formula C10H10F3N3O5 and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264831
Molecular FormulaC10H10F3N3O5
Molecular Weight309.20 g/mol
Exact Mass309.06
IUPAC Name2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H10F3N3O5/c11-10(12,13)5-16(4-8(19)20)7(18)3-15-2-1-6(17)14-9(15)21/h1-2H,3-5H2,(H,19,20)(H,14,17,21)
InChIKeyYWQOACUBVWNDDU-UHFFFAOYSA-N
XLogP-0.99
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264831) is 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YWQOACUBVWNDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O5/c11-10(12,13)5-16(4-8(19)20)7(18)3-15-2-1-6(17)14-9(15)21/h1-2H,3-5H2,(H,19,20)(H,14,17,21).
What are the key properties of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 309.20 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).