2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid

C8H10F3N3O4 — CID 65442437

IUPAC2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
SMILESCC1(C(F)(F)F)NC(=O)N(CC(N)C(=O)O)C1=O
InChIInChI=1S/C8H10F3N3O4/c1-7(8(9,10)11)5(17)14(6(18)13-7)2-3(12)4(15)16/h3H,2,12H2,1H3,(H,13,18)(H,15,16)
InChIKeyWELIOKMYTUYYQS-UHFFFAOYSA-N
MW269.18 g/mol
LogP-0.73
Rot. Bonds3

About 2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid

2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid (PubChem CID 65442437) has the molecular formula C8H10F3N3O4 and a molecular weight of 269.18 g/mol. Its IUPAC name is 2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
PubChem CID65442437
Molecular FormulaC8H10F3N3O4
Molecular Weight269.18 g/mol
Exact Mass269.06
IUPAC Name2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
SMILESCC1(C(F)(F)F)NC(=O)N(CC(N)C(=O)O)C1=O
InChIInChI=1S/C8H10F3N3O4/c1-7(8(9,10)11)5(17)14(6(18)13-7)2-3(12)4(15)16/h3H,2,12H2,1H3,(H,13,18)(H,15,16)
InChIKeyWELIOKMYTUYYQS-UHFFFAOYSA-N
XLogP-0.73
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
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-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
The IUPAC name of 2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid (CID 65442437) is 2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid is CC1(C(F)(F)F)NC(=O)N(CC(N)C(=O)O)C1=O.
What is the InChIKey of 2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
The InChIKey is WELIOKMYTUYYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O4/c1-7(8(9,10)11)5(17)14(6(18)13-7)2-3(12)4(15)16/h3H,2,12H2,1H3,(H,13,18)(H,15,16).
What are the key properties of 2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid has a molecular weight of 269.18 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 65442437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).