2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride

C11H19ClF3N3O2 — CID 119324342

IUPAC2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1CCN(CC(F)(F)F)C1=O.Cl
InChIInChI=1S/C11H18F3N3O2.ClH/c1-2-3-7(15)9(18)16-8-4-5-17(10(8)19)6-11(12,13)14;/h7-8H,2-6,15H2,1H3,(H,16,18);1H
InChIKeyLLKRUYOVPYBJAB-UHFFFAOYSA-N
MW317.74 g/mol
LogP0.81
Rot. Bonds5

About 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride

2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride (PubChem CID 119324342) has the molecular formula C11H19ClF3N3O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride
PubChem CID119324342
Molecular FormulaC11H19ClF3N3O2
Molecular Weight317.74 g/mol
Exact Mass317.11
IUPAC Name2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1CCN(CC(F)(F)F)C1=O.Cl
InChIInChI=1S/C11H18F3N3O2.ClH/c1-2-3-7(15)9(18)16-8-4-5-17(10(8)19)6-11(12,13)14;/h7-8H,2-6,15H2,1H3,(H,16,18);1H
InChIKeyLLKRUYOVPYBJAB-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride (CID 119324342) is 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride is CCCC(N)C(=O)NC1CCN(CC(F)(F)F)C1=O.Cl.
What is the InChIKey of 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride?
The InChIKey is LLKRUYOVPYBJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2.ClH/c1-2-3-7(15)9(18)16-8-4-5-17(10(8)19)6-11(12,13)14;/h7-8H,2-6,15H2,1H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride?
2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride has a molecular weight of 317.74 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride is sourced from PubChem (CID 119324342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).