(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

C11H10FNO3 — CID 744166

IUPAC(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)/t7-/m1/s1
InChIKeyJYYMPQMWOVXMDK-SSDOTTSWSA-N
MW223.20 g/mol
LogP1.26
Rot. Bonds2

About (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 744166) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID744166
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)/t7-/m1/s1
InChIKeyJYYMPQMWOVXMDK-SSDOTTSWSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 744166) is (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JYYMPQMWOVXMDK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)/t7-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 744166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).