(2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid

C11H12F6N2O4 — CID 87697232

IUPAC(2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C1=O
InChIInChI=1S/C11H12F6N2O4/c1-4(2)3-5(6(20)21)19-7(22)9(10(12,13)14,11(15,16)17)18-8(19)23/h4-5H,3H2,1-2H3,(H,18,23)(H,20,21)/t5-/m1/s1
InChIKeyWRCSEQAEBUXINR-RXMQYKEDSA-N
MW350.22 g/mol
LogP1.90
Rot. Bonds4

About (2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid

(2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid (PubChem CID 87697232) has the molecular formula C11H12F6N2O4 and a molecular weight of 350.22 g/mol. Its IUPAC name is (2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid
PubChem CID87697232
Molecular FormulaC11H12F6N2O4
Molecular Weight350.22 g/mol
Exact Mass350.07
IUPAC Name(2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C1=O
InChIInChI=1S/C11H12F6N2O4/c1-4(2)3-5(6(20)21)19-7(22)9(10(12,13)14,11(15,16)17)18-8(19)23/h4-5H,3H2,1-2H3,(H,18,23)(H,20,21)/t5-/m1/s1
InChIKeyWRCSEQAEBUXINR-RXMQYKEDSA-N
XLogP1.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.90
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 (2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid (CID 87697232) is (2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid is CC(C)C[C@H](C(=O)O)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C1=O.
What is the InChIKey of (2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid?
The InChIKey is WRCSEQAEBUXINR-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H12F6N2O4/c1-4(2)3-5(6(20)21)19-7(22)9(10(12,13)14,11(15,16)17)18-8(19)23/h4-5H,3H2,1-2H3,(H,18,23)(H,20,21)/t5-/m1/s1.
What are the key properties of (2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid?
(2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid has a molecular weight of 350.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methylpentanoic acid is sourced from PubChem (CID 87697232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).