1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

C12H12FNO3 — CID 2780702

IUPAC1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C12H12FNO3/c13-10-3-1-8(2-4-10)6-14-7-9(12(16)17)5-11(14)15/h1-4,9H,5-7H2,(H,16,17)
InChIKeyIYAFJFDPMVQTJO-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.26
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2780702) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2780702
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C12H12FNO3/c13-10-3-1-8(2-4-10)6-14-7-9(12(16)17)5-11(14)15/h1-4,9H,5-7H2,(H,16,17)
InChIKeyIYAFJFDPMVQTJO-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 2780702) is 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is IYAFJFDPMVQTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-10-3-1-8(2-4-10)6-14-7-9(12(16)17)5-11(14)15/h1-4,9H,5-7H2,(H,16,17).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2780702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).