3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid

C11H17F3N2O3 — CID 63148665

IUPAC3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-10(9(18)19)3-4-16(7-10)5-8(17)15-6-11(12,13)14/h2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyJGWHKAKYBMTNDF-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.85
Rot. Bonds5

About 3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148665) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID63148665
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-10(9(18)19)3-4-16(7-10)5-8(17)15-6-11(12,13)14/h2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyJGWHKAKYBMTNDF-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid (CID 63148665) is 3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JGWHKAKYBMTNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-10(9(18)19)3-4-16(7-10)5-8(17)15-6-11(12,13)14/h2-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).