(3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione

C11H15F3N2O3 — CID 59752809

IUPAC(3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione
SMILESCC(C(N)C(=O)[C@@H]1C(=O)N(C)C(=O)[C@H]1C)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-4-6(10(19)16(3)9(4)18)8(17)7(15)5(2)11(12,13)14/h4-7H,15H2,1-3H3/t4-,5?,6+,7?/m0/s1
InChIKeyQGRSKCOLIKZCPL-RDRGIUDTSA-N
MW280.25 g/mol
LogP0.33
Rot. Bonds3

About (3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione

(3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione (PubChem CID 59752809) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is (3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione
PubChem CID59752809
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name(3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione
SMILESCC(C(N)C(=O)[C@@H]1C(=O)N(C)C(=O)[C@H]1C)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-4-6(10(19)16(3)9(4)18)8(17)7(15)5(2)11(12,13)14/h4-7H,15H2,1-3H3/t4-,5?,6+,7?/m0/s1
InChIKeyQGRSKCOLIKZCPL-RDRGIUDTSA-N
XLogP0.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione (CID 59752809) is (3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione is CC(C(N)C(=O)[C@@H]1C(=O)N(C)C(=O)[C@H]1C)C(F)(F)F.
What is the InChIKey of (3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is QGRSKCOLIKZCPL-RDRGIUDTSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-4-6(10(19)16(3)9(4)18)8(17)7(15)5(2)11(12,13)14/h4-7H,15H2,1-3H3/t4-,5?,6+,7?/m0/s1.
What are the key properties of (3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione?
(3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 280.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(2-amino-4,4,4-trifluoro-3-methylbutanoyl)-1,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 59752809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).