2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H19F3N2O2 — CID 79266263

IUPAC2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)N1CCC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)15-4-3-9(5-15)16(6-10(17)18)7-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyWWPWGOORJBXTIH-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.42
Rot. Bonds5

About 2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266263) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266263
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)N1CCC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)15-4-3-9(5-15)16(6-10(17)18)7-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyWWPWGOORJBXTIH-UHFFFAOYSA-N
XLogP1.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)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-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266263) is 2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)N1CCC(N(CC(=O)O)CC(F)(F)F)C1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WWPWGOORJBXTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(2)15-4-3-9(5-15)16(6-10(17)18)7-11(12,13)14/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 268.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).