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

C10H10F3N3O4 — CID 79258965

IUPAC2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H10F3N3O4/c11-10(12,13)6-16(5-8(18)19)7(17)4-15-3-1-2-14-9(15)20/h1-3H,4-6H2,(H,18,19)
InChIKeyACLGOMGFJVJCNH-UHFFFAOYSA-N
MW293.20 g/mol
LogP-0.28
Rot. Bonds5

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

2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258965) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258965
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H10F3N3O4/c11-10(12,13)6-16(5-8(18)19)7(17)4-15-3-1-2-14-9(15)20/h1-3H,4-6H2,(H,18,19)
InChIKeyACLGOMGFJVJCNH-UHFFFAOYSA-N
XLogP-0.28
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258965) is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ACLGOMGFJVJCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O4/c11-10(12,13)6-16(5-8(18)19)7(17)4-15-3-1-2-14-9(15)20/h1-3H,4-6H2,(H,18,19).
What are the key properties of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 293.20 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).