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

C14H15NO5 — CID 61379420

IUPAC2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(OCCN2C(=O)CCC2=O)c1
InChIInChI=1S/C14H15NO5/c1-9-2-3-10(14(18)19)11(8-9)20-7-6-15-12(16)4-5-13(15)17/h2-3,8H,4-7H2,1H3,(H,18,19)
InChIKeyGPJCVZVWJJPIMO-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.22
Rot. Bonds5

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

2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid (PubChem CID 61379420) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid
PubChem CID61379420
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(OCCN2C(=O)CCC2=O)c1
InChIInChI=1S/C14H15NO5/c1-9-2-3-10(14(18)19)11(8-9)20-7-6-15-12(16)4-5-13(15)17/h2-3,8H,4-7H2,1H3,(H,18,19)
InChIKeyGPJCVZVWJJPIMO-UHFFFAOYSA-N
XLogP1.22
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxybenzoic acid
CID 61379508
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 82889522
2-(3,3-dimethylbutoxy)-4-methylbenzoic acid
CID 61379519
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
2-(4-bromobutoxy)-4-methylbenzoic acid
CID 19039706
2-(3-ethoxypropoxy)-4-methylbenzoic acid
CID 65176172
4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
CID 60651665
4-methyl-2-pent-3-ynoxybenzoic acid
CID 104804076
4-methyl-2-(4,4,4-trifluorobutoxy)benzoic acid
CID 113326212
4-methyl-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzoic acid
CID 62623223
4-methyl-2-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 63892228
4-methyl-2-prop-2-enoxybenzoic acid
CID 23510388

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid?
The IUPAC name of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid (CID 61379420) is 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid?
The canonical SMILES for 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(OCCN2C(=O)CCC2=O)c1.
What is the InChIKey of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid?
The InChIKey is GPJCVZVWJJPIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-9-2-3-10(14(18)19)11(8-9)20-7-6-15-12(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-methylbenzoic acid?
2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methylbenzoic acid is sourced from PubChem (CID 61379420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).