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

C12H19F3N2O3 — CID 115884600

IUPACN-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(O)C(C)(C)NC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-7(18)11(2,3)16-10(20)8-4-9(19)17(5-8)6-12(13,14)15/h7-8,18H,4-6H2,1-3H3,(H,16,20)
InChIKeyUDIJLVULOCCLDK-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.67
Rot. Bonds4

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

N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 115884600) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID115884600
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC NameN-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(O)C(C)(C)NC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-7(18)11(2,3)16-10(20)8-4-9(19)17(5-8)6-12(13,14)15/h7-8,18H,4-6H2,1-3H3,(H,16,20)
InChIKeyUDIJLVULOCCLDK-UHFFFAOYSA-N
XLogP0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119608405
N-(4-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 115968687
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103945562
(3S)-5-oxo-N-(2-phenylpropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130133
(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 124685172
N-[(2R)-1-hydroxybutan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103920300
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119588212
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120652292
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 107562754
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60569286
5-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103725850

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 115884600) is N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(O)C(C)(C)NC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is UDIJLVULOCCLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-7(18)11(2,3)16-10(20)8-4-9(19)17(5-8)6-12(13,14)15/h7-8,18H,4-6H2,1-3H3,(H,16,20).
What are the key properties of N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115884600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).