methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate

C16H17NO7 — CID 155293526

IUPACmethyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H17NO7/c1-22-15(20)9-4-11-2-5-12(6-3-11)23-10-16(21)24-17-13(18)7-8-14(17)19/h2-3,5-6H,4,7-10H2,1H3
InChIKeyOIXDLGHUEKGBGW-UHFFFAOYSA-N
MW335.31 g/mol
LogP0.78
Rot. Bonds7

About methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate

methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate (PubChem CID 155293526) has the molecular formula C16H17NO7 and a molecular weight of 335.31 g/mol. Its IUPAC name is methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate
PubChem CID155293526
Molecular FormulaC16H17NO7
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Namemethyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H17NO7/c1-22-15(20)9-4-11-2-5-12(6-3-11)23-10-16(21)24-17-13(18)7-8-14(17)19/h2-3,5-6H,4,7-10H2,1H3
InChIKeyOIXDLGHUEKGBGW-UHFFFAOYSA-N
XLogP0.78
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate (CID 155293526) is methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate is COC(=O)CCc1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate?
The InChIKey is OIXDLGHUEKGBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO7/c1-22-15(20)9-4-11-2-5-12(6-3-11)23-10-16(21)24-17-13(18)7-8-14(17)19/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate?
methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate has a molecular weight of 335.31 g/mol, XLogP of 0.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate is sourced from PubChem (CID 155293526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).