4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride

C11H19ClF3N3O2 — CID 119784798

IUPAC4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCN(CC(F)(F)F)C1=O.Cl
InChIInChI=1S/C11H18F3N3O2.ClH/c1-15-5-2-3-9(18)16-8-4-6-17(10(8)19)7-11(12,13)14;/h8,15H,2-7H2,1H3,(H,16,18);1H
InChIKeyUIYNYMGLBASYQA-UHFFFAOYSA-N
MW317.74 g/mol
LogP0.69
Rot. Bonds6

About 4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride

4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride (PubChem CID 119784798) has the molecular formula C11H19ClF3N3O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride
PubChem CID119784798
Molecular FormulaC11H19ClF3N3O2
Molecular Weight317.74 g/mol
Exact Mass317.11
IUPAC Name4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCN(CC(F)(F)F)C1=O.Cl
InChIInChI=1S/C11H18F3N3O2.ClH/c1-15-5-2-3-9(18)16-8-4-6-17(10(8)19)7-11(12,13)14;/h8,15H,2-7H2,1H3,(H,16,18);1H
InChIKeyUIYNYMGLBASYQA-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride (CID 119784798) is 4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride is CNCCCC(=O)NC1CCN(CC(F)(F)F)C1=O.Cl.
What is the InChIKey of 4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride?
The InChIKey is UIYNYMGLBASYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2.ClH/c1-15-5-2-3-9(18)16-8-4-6-17(10(8)19)7-11(12,13)14;/h8,15H,2-7H2,1H3,(H,16,18);1H.
What are the key properties of 4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride?
4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride has a molecular weight of 317.74 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 119784798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).