1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

C19H19NO5 — CID 3244527

IUPAC1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO5/c1-24-14-7-3-12(4-8-14)18-16(19(22)23)11-17(21)20(18)13-5-9-15(25-2)10-6-13/h3-10,16,18H,11H2,1-2H3,(H,22,23)
InChIKeyXKBKJKQBOSAGPZ-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.88
Rot. Bonds5

About 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 3244527) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID3244527
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO5/c1-24-14-7-3-12(4-8-14)18-16(19(22)23)11-17(21)20(18)13-5-9-15(25-2)10-6-13/h3-10,16,18H,11H2,1-2H3,(H,22,23)
InChIKeyXKBKJKQBOSAGPZ-UHFFFAOYSA-N
XLogP2.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 3244527) is 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is COc1ccc(C2C(C(=O)O)CC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is XKBKJKQBOSAGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-14-7-3-12(4-8-14)18-16(19(22)23)11-17(21)20(18)13-5-9-15(25-2)10-6-13/h3-10,16,18H,11H2,1-2H3,(H,22,23).
What are the key properties of 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3244527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).