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

C13H21F3N2O3 — CID 61038581

IUPACN-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O3/c1-9(2)18(4-3-5-19)12(21)10-6-11(20)17(7-10)8-13(14,15)16/h9-10,19H,3-8H2,1-2H3
InChIKeyDOCWMXLLXYKCES-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.02
Rot. Bonds6

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

N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 61038581) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID61038581
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC NameN-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(CCCO)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O3/c1-9(2)18(4-3-5-19)12(21)10-6-11(20)17(7-10)8-13(14,15)16/h9-10,19H,3-8H2,1-2H3
InChIKeyDOCWMXLLXYKCES-UHFFFAOYSA-N
XLogP1.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419680
N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419704
N-(1-hydroxypropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427756
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43500686
N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43573450
N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43576599
N-(2-hydroxypropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55060626
N-(2-hydroxyethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60749980
3-[Ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 61006964
N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 61233794
2-Methyl-3-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 61598686
4-[3-(Hydroxymethyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 62372361

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 61038581) is N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(C)N(CCCO)C(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is DOCWMXLLXYKCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-9(2)18(4-3-5-19)12(21)10-6-11(20)17(7-10)8-13(14,15)16/h9-10,19H,3-8H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 61038581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).