2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid

C14H15NO6 — CID 61379508

IUPAC2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCCN2C(=O)CCC2=O)c1
InChIInChI=1S/C14H15NO6/c1-20-9-2-3-10(14(18)19)11(8-9)21-7-6-15-12(16)4-5-13(15)17/h2-3,8H,4-7H2,1H3,(H,18,19)
InChIKeyCYXFCDGWFPPSHN-UHFFFAOYSA-N
MW293.27 g/mol
LogP0.92
Rot. Bonds6

About 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid

2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid (PubChem CID 61379508) has the molecular formula C14H15NO6 and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid
PubChem CID61379508
Molecular FormulaC14H15NO6
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCCN2C(=O)CCC2=O)c1
InChIInChI=1S/C14H15NO6/c1-20-9-2-3-10(14(18)19)11(8-9)21-7-6-15-12(16)4-5-13(15)17/h2-3,8H,4-7H2,1H3,(H,18,19)
InChIKeyCYXFCDGWFPPSHN-UHFFFAOYSA-N
XLogP0.92
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid
CID 61379420
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-methoxy-2-(3-methylsulfonylpropoxy)benzoic acid
CID 63190587
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 102999412
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
4-methoxy-2-(3-methylbut-2-enoxy)benzoic acid
CID 60693202
2-but-2-enoxy-4-methoxybenzoic acid
CID 61379318

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid?
The IUPAC name of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid (CID 61379508) is 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(OCCN2C(=O)CCC2=O)c1.
What is the InChIKey of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid?
The InChIKey is CYXFCDGWFPPSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-20-9-2-3-10(14(18)19)11(8-9)21-7-6-15-12(16)4-5-13(15)17/h2-3,8H,4-7H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid?
2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid has a molecular weight of 293.27 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid is sourced from PubChem (CID 61379508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).