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

C13H15NO5 — CID 3160060

IUPAC1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)O)CC2=O)c(OC)c1
InChIInChI=1S/C13H15NO5/c1-18-9-3-4-10(11(6-9)19-2)14-7-8(13(16)17)5-12(14)15/h3-4,6,8H,5,7H2,1-2H3,(H,16,17)
InChIKeyMXNQXFPGGPZDQK-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.14
Rot. Bonds4

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

1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 3160060) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID3160060
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)O)CC2=O)c(OC)c1
InChIInChI=1S/C13H15NO5/c1-18-9-3-4-10(11(6-9)19-2)14-7-8(13(16)17)5-12(14)15/h3-4,6,8H,5,7H2,1-2H3,(H,16,17)
InChIKeyMXNQXFPGGPZDQK-UHFFFAOYSA-N
XLogP1.14
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 3160060) is 1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is COc1ccc(N2CC(C(=O)O)CC2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is MXNQXFPGGPZDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-9-3-4-10(11(6-9)19-2)14-7-8(13(16)17)5-12(14)15/h3-4,6,8H,5,7H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3160060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).