2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3N3O5 — CID 79265249

IUPAC2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN1CC(=O)N(CC(=O)N(CC(=O)O)CC(F)(F)F)C1=O
InChIInChI=1S/C10H12F3N3O5/c1-14-2-7(18)16(9(14)21)3-6(17)15(4-8(19)20)5-10(11,12)13/h2-5H2,1H3,(H,19,20)
InChIKeyMIXHYTYCBQLUKU-UHFFFAOYSA-N
MW311.22 g/mol
LogP-0.64
Rot. Bonds5

About 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265249) has the molecular formula C10H12F3N3O5 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265249
Molecular FormulaC10H12F3N3O5
Molecular Weight311.22 g/mol
Exact Mass311.07
IUPAC Name2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN1CC(=O)N(CC(=O)N(CC(=O)O)CC(F)(F)F)C1=O
InChIInChI=1S/C10H12F3N3O5/c1-14-2-7(18)16(9(14)21)3-6(17)15(4-8(19)20)5-10(11,12)13/h2-5H2,1H3,(H,19,20)
InChIKeyMIXHYTYCBQLUKU-UHFFFAOYSA-N
XLogP-0.64
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265249) is 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CN1CC(=O)N(CC(=O)N(CC(=O)O)CC(F)(F)F)C1=O.
What is the InChIKey of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is MIXHYTYCBQLUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O5/c1-14-2-7(18)16(9(14)21)3-6(17)15(4-8(19)20)5-10(11,12)13/h2-5H2,1H3,(H,19,20).
What are the key properties of 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 311.22 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).