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

C9H11F3N2O4 — CID 62874671

IUPAC5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1C(=O)CCC1C(=O)O)NCC(F)(F)F
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)4-13-6(15)3-14-5(8(17)18)1-2-7(14)16/h5H,1-4H2,(H,13,15)(H,17,18)
InChIKeyATSQBJNIXCRWBG-UHFFFAOYSA-N
MW268.19 g/mol
LogP-0.26
Rot. Bonds4

About 5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid

5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 62874671) has the molecular formula C9H11F3N2O4 and a molecular weight of 268.19 g/mol. Its IUPAC name is 5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID62874671
Molecular FormulaC9H11F3N2O4
Molecular Weight268.19 g/mol
Exact Mass268.07
IUPAC Name5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1C(=O)CCC1C(=O)O)NCC(F)(F)F
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)4-13-6(15)3-14-5(8(17)18)1-2-7(14)16/h5H,1-4H2,(H,13,15)(H,17,18)
InChIKeyATSQBJNIXCRWBG-UHFFFAOYSA-N
XLogP-0.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid (CID 62874671) is 5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid is O=C(CN1C(=O)CCC1C(=O)O)NCC(F)(F)F.
What is the InChIKey of 5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ATSQBJNIXCRWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4/c10-9(11,12)4-13-6(15)3-14-5(8(17)18)1-2-7(14)16/h5H,1-4H2,(H,13,15)(H,17,18).
What are the key properties of 5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid?
5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 268.19 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62874671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).