(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

C11H9F2NO3 — CID 42260924

IUPAC(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C11H9F2NO3/c12-6-1-2-8(7(13)5-6)14-9(11(16)17)3-4-10(14)15/h1-2,5,9H,3-4H2,(H,16,17)/t9-/m1/s1
InChIKeyNJPKOOAVIRJGKK-SECBINFHSA-N
MW241.19 g/mol
LogP1.54
Rot. Bonds2

About (2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid

(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 42260924) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is (2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID42260924
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C11H9F2NO3/c12-6-1-2-8(7(13)5-6)14-9(11(16)17)3-4-10(14)15/h1-2,5,9H,3-4H2,(H,16,17)/t9-/m1/s1
InChIKeyNJPKOOAVIRJGKK-SECBINFHSA-N
XLogP1.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 42260924) is (2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCC(=O)N1c1ccc(F)cc1F.
What is the InChIKey of (2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is NJPKOOAVIRJGKK-SECBINFHSA-N. The full InChI is InChI=1S/C11H9F2NO3/c12-6-1-2-8(7(13)5-6)14-9(11(16)17)3-4-10(14)15/h1-2,5,9H,3-4H2,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 241.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 42260924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).