2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O3 — CID 79258868

IUPAC2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C(=O)N1CCCC1)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-8(10(19)15-4-2-3-5-15)16(6-9(17)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyFXQGLLXAZNPJOR-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.95
Rot. Bonds5

About 2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258868) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258868
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C(=O)N1CCCC1)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-8(10(19)15-4-2-3-5-15)16(6-9(17)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyFXQGLLXAZNPJOR-UHFFFAOYSA-N
XLogP0.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258868) is 2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC(C(=O)N1CCCC1)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FXQGLLXAZNPJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-8(10(19)15-4-2-3-5-15)16(6-9(17)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).