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

C11H17F3N2O3 — CID 43419704

IUPACN-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCC(CO)NC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-8(5-17)15-10(19)7-3-9(18)16(4-7)6-11(12,13)14/h7-8,17H,2-6H2,1H3,(H,15,19)
InChIKeyRYWYFCJAGFJNEO-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.28
Rot. Bonds5

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

N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 43419704) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID43419704
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC NameN-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCC(CO)NC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-8(5-17)15-10(19)7-3-9(18)16(4-7)6-11(12,13)14/h7-8,17H,2-6H2,1H3,(H,15,19)
InChIKeyRYWYFCJAGFJNEO-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 67294139
[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
CID 67294225
[4,4-Difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 67295581
(4,4-Difluoro-2-(hydroxymethyl)pyrrolidin-1-yl)(pyrrolidin-3-yl)methanone
CID 67295582
[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 123613326
3-Methyl-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 43354115
N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419594
N-(3-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419680
N-(2-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427732
N-(1-hydroxypropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427756
2-[[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 43469529
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43500686

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 43419704) is N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCC(CO)NC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is RYWYFCJAGFJNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-8(5-17)15-10(19)7-3-9(18)16(4-7)6-11(12,13)14/h7-8,17H,2-6H2,1H3,(H,15,19).
What are the key properties of N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 43419704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).