N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C11H17F3N2O3 — CID 65031817

IUPACN-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(CO)CNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-7(5-17)3-15-10(19)8-2-9(18)16(4-8)6-11(12,13)14/h7-8,17H,2-6H2,1H3,(H,15,19)
InChIKeyUEDZVRQBEFPDES-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.14
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 65031817) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID65031817
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC NameN-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(CO)CNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-7(5-17)3-15-10(19)8-2-9(18)16(4-8)6-11(12,13)14/h7-8,17H,2-6H2,1H3,(H,15,19)
InChIKeyUEDZVRQBEFPDES-UHFFFAOYSA-N
XLogP0.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 65031817) is N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(CO)CNC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is UEDZVRQBEFPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-7(5-17)3-15-10(19)8-2-9(18)16(4-8)6-11(12,13)14/h7-8,17H,2-6H2,1H3,(H,15,19).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 65031817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).