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

C11H10F6N2O4 — CID 22390021

IUPAC3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid
SMILESO=C(O)C(CC1CC1)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C1=O
InChIInChI=1S/C11H10F6N2O4/c12-10(13,14)9(11(15,16)17)7(22)19(8(23)18-9)5(6(20)21)3-4-1-2-4/h4-5H,1-3H2,(H,18,23)(H,20,21)
InChIKeySXQKCZMHZUABRF-UHFFFAOYSA-N
MW348.20 g/mol
LogP1.65
Rot. Bonds4

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

3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid (PubChem CID 22390021) has the molecular formula C11H10F6N2O4 and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid
PubChem CID22390021
Molecular FormulaC11H10F6N2O4
Molecular Weight348.20 g/mol
Exact Mass348.05
IUPAC Name3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid
SMILESO=C(O)C(CC1CC1)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C1=O
InChIInChI=1S/C11H10F6N2O4/c12-10(13,14)9(11(15,16)17)7(22)19(8(23)18-9)5(6(20)21)3-4-1-2-4/h4-5H,1-3H2,(H,18,23)(H,20,21)
InChIKeySXQKCZMHZUABRF-UHFFFAOYSA-N
XLogP1.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid (CID 22390021) is 3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid is O=C(O)C(CC1CC1)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C1=O.
What is the InChIKey of 3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
The InChIKey is SXQKCZMHZUABRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O4/c12-10(13,14)9(11(15,16)17)7(22)19(8(23)18-9)5(6(20)21)3-4-1-2-4/h4-5H,1-3H2,(H,18,23)(H,20,21).
What are the key properties of 3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid has a molecular weight of 348.20 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 22390021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).