methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate

C19H15NO6 — CID 89390468

IUPACmethyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C19H15NO6/c1-25-18(23)14-6-2-12(3-7-14)13-4-8-15(9-5-13)19(24)26-20-16(21)10-11-17(20)22/h2-9H,10-11H2,1H3
InChIKeyTWCCWZOYYKAWEE-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.36
Rot. Bonds4

About methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate

methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate (PubChem CID 89390468) has the molecular formula C19H15NO6 and a molecular weight of 353.33 g/mol. Its IUPAC name is methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate
PubChem CID89390468
Molecular FormulaC19H15NO6
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC Namemethyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C19H15NO6/c1-25-18(23)14-6-2-12(3-7-14)13-4-8-15(9-5-13)19(24)26-20-16(21)10-11-17(20)22/h2-9H,10-11H2,1H3
InChIKeyTWCCWZOYYKAWEE-UHFFFAOYSA-N
XLogP2.36
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-methylphenyl)ethynyl]benzoate
CID 129054191
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
(2,5-dioxopyrrolidin-1-yl) 4-(4-heptoxyphenyl)benzoate
CID 19969049
(2,5-dioxopyrrolidin-1-yl) 4-(cyanoamino)benzoate
CID 89373287
(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]benzoate
CID 170372063
(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-(4-methylphenyl)methyl]benzoate
CID 19967587
(2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene
CID 144616966
(2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate
CID 102286988
(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(methylamino)benzoate
CID 162170884
(2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 12023731

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate?
The IUPAC name of methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate (CID 89390468) is methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate.
What is the SMILES notation for methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate?
The canonical SMILES for methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate is COC(=O)c1ccc(-c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate?
The InChIKey is TWCCWZOYYKAWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6/c1-25-18(23)14-6-2-12(3-7-14)13-4-8-15(9-5-13)19(24)26-20-16(21)10-11-17(20)22/h2-9H,10-11H2,1H3.
What are the key properties of methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate?
methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate has a molecular weight of 353.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate is sourced from PubChem (CID 89390468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).