1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

C14H17NO4 — CID 2959483

IUPAC1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(CCN2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)6-7-15-9-11(14(17)18)8-13(15)16/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyVLAGKOABJGTUFO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.17
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2959483) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2959483
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(CCN2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)6-7-15-9-11(14(17)18)8-13(15)16/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyVLAGKOABJGTUFO-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 2959483) is 1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is COc1ccc(CCN2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is VLAGKOABJGTUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)6-7-15-9-11(14(17)18)8-13(15)16/h2-5,11H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2959483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).