1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid

C13H12FNO4 — CID 82122509

IUPAC1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H12FNO4/c14-9-3-1-8(2-4-9)7-12(17)15-10(13(18)19)5-6-11(15)16/h1-4,10H,5-7H2,(H,18,19)
InChIKeyOZASESYGNBDFEN-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.97
Rot. Bonds3

About 1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid

1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 82122509) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID82122509
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H12FNO4/c14-9-3-1-8(2-4-9)7-12(17)15-10(13(18)19)5-6-11(15)16/h1-4,10H,5-7H2,(H,18,19)
InChIKeyOZASESYGNBDFEN-UHFFFAOYSA-N
XLogP0.97
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid
CID 84606584
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 114421350
N-ethylethanamine;(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 3042469
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
1-[(1R,5S)-8-[2-(4-fluorophenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
CID 100726274
5-oxo-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 3016456
3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780328
1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302897
(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 42260924
(4aR,9aR)-1-[2-(4-fluorophenyl)acetyl]-5-methyl-2,3,4,4a,7,8,9,9a-octahydropyrido[3,2-b]azepin-6-one
CID 110124795
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid (CID 82122509) is 1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is OZASESYGNBDFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c14-9-3-1-8(2-4-9)7-12(17)15-10(13(18)19)5-6-11(15)16/h1-4,10H,5-7H2,(H,18,19).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 265.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82122509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).