methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate

C17H21NO6 — CID 22924021

IUPACmethyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate
SMILESCCOc1cc(C(C)(C(=O)OC)C2CC(=O)NC2=O)ccc1OC
InChIInChI=1S/C17H21NO6/c1-5-24-13-8-10(6-7-12(13)22-3)17(2,16(21)23-4)11-9-14(19)18-15(11)20/h6-8,11H,5,9H2,1-4H3,(H,18,19,20)
InChIKeyMVEBFQBXUQQYBD-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.19
Rot. Bonds6

About methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate

methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate (PubChem CID 22924021) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate
PubChem CID22924021
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Namemethyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate
SMILESCCOc1cc(C(C)(C(=O)OC)C2CC(=O)NC2=O)ccc1OC
InChIInChI=1S/C17H21NO6/c1-5-24-13-8-10(6-7-12(13)22-3)17(2,16(21)23-4)11-9-14(19)18-15(11)20/h6-8,11H,5,9H2,1-4H3,(H,18,19,20)
InChIKeyMVEBFQBXUQQYBD-UHFFFAOYSA-N
XLogP1.19
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate?
The IUPAC name of methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate (CID 22924021) is methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate is CCOc1cc(C(C)(C(=O)OC)C2CC(=O)NC2=O)ccc1OC.
What is the InChIKey of methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate?
The InChIKey is MVEBFQBXUQQYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-5-24-13-8-10(6-7-12(13)22-3)17(2,16(21)23-4)11-9-14(19)18-15(11)20/h6-8,11H,5,9H2,1-4H3,(H,18,19,20).
What are the key properties of methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate?
methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate has a molecular weight of 335.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate is sourced from PubChem (CID 22924021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).