2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid

C11H15F3N2O4 — CID 61022115

IUPAC2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H15F3N2O4/c1-2-15(5-9(18)19)10(20)7-3-8(17)16(4-7)6-11(12,13)14/h7H,2-6H2,1H3,(H,18,19)
InChIKeyFHZAARRMSHEJPS-UHFFFAOYSA-N
MW296.25 g/mol
LogP0.33
Rot. Bonds5

About 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid

2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 61022115) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID61022115
Molecular FormulaC11H15F3N2O4
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H15F3N2O4/c1-2-15(5-9(18)19)10(20)7-3-8(17)16(4-7)6-11(12,13)14/h7H,2-6H2,1H3,(H,18,19)
InChIKeyFHZAARRMSHEJPS-UHFFFAOYSA-N
XLogP0.33
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid 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-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid (CID 61022115) is 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid is CCN(CC(=O)O)C(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is FHZAARRMSHEJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4/c1-2-15(5-9(18)19)10(20)7-3-8(17)16(4-7)6-11(12,13)14/h7H,2-6H2,1H3,(H,18,19).
What are the key properties of 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 296.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 61022115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).