4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid

C13H12FNO5 — CID 174636526

IUPAC4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(Cc2ccc(F)cc2)C(=O)N1C(=O)O
InChIInChI=1S/C13H12FNO5/c14-9-3-1-7(2-4-9)5-8-6-10(12(17)18)15(11(8)16)13(19)20/h1-4,8,10H,5-6H2,(H,17,18)(H,19,20)
InChIKeyNTGNBTQUSRJWHL-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.35
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid

4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid (PubChem CID 174636526) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid
PubChem CID174636526
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(Cc2ccc(F)cc2)C(=O)N1C(=O)O
InChIInChI=1S/C13H12FNO5/c14-9-3-1-7(2-4-9)5-8-6-10(12(17)18)15(11(8)16)13(19)20/h1-4,8,10H,5-6H2,(H,17,18)(H,19,20)
InChIKeyNTGNBTQUSRJWHL-UHFFFAOYSA-N
XLogP1.35
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

gamma-L-Glutamyl-L-phenylalanine
CID 111299
5-Oxo-3-phenylpyrrolidine-2-carboxylic acid
CID 5307343
Npc317970
CID 558649
(2S,4S)-4-[(2,5-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 9991916
(2S,4S)-4-[(2,3-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 9991917
(4S)-4-[(3-fluorophenyl)methyl]-L-Proline hydrochloride
CID 54584744
N-succinyl-l-phenylalanine
CID 4290942
(2S,4R)-4-(3-Fluorobenzyl)pyrrolidine-2-carboxylic acid
CID 2761968
L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-
CID 3042461
(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 698601
1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate
CID 4712506
(S)-1-Benzyl-5-carboxy-2-pyrrolidinone
CID 10900113

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid (CID 174636526) is 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid is O=C(O)C1CC(Cc2ccc(F)cc2)C(=O)N1C(=O)O.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid?
The InChIKey is NTGNBTQUSRJWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c14-9-3-1-7(2-4-9)5-8-6-10(12(17)18)15(11(8)16)13(19)20/h1-4,8,10H,5-6H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid?
4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid has a molecular weight of 281.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 174636526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).