3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid

C7H9F3N2O3 — CID 107323746

IUPAC3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H9F3N2O3/c8-7(9,10)4(13)12-2-1-6(11,3-12)5(14)15/h1-3,11H2,(H,14,15)
InChIKeyFIEJGSLEEAAROR-UHFFFAOYSA-N
MW226.15 g/mol
LogP-0.44
Rot. Bonds1

About 3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323746) has the molecular formula C7H9F3N2O3 and a molecular weight of 226.15 g/mol. Its IUPAC name is 3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
PubChem CID107323746
Molecular FormulaC7H9F3N2O3
Molecular Weight226.15 g/mol
Exact Mass226.06
IUPAC Name3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H9F3N2O3/c8-7(9,10)4(13)12-2-1-6(11,3-12)5(14)15/h1-3,11H2,(H,14,15)
InChIKeyFIEJGSLEEAAROR-UHFFFAOYSA-N
XLogP-0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid (CID 107323746) is 3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FIEJGSLEEAAROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O3/c8-7(9,10)4(13)12-2-1-6(11,3-12)5(14)15/h1-3,11H2,(H,14,15).
What are the key properties of 3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 226.15 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).