[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate

C15H17NO6 — CID 2474678

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCCC2=O)c(OC)c1
InChIInChI=1S/C15H17NO6/c1-20-10-5-6-11(12(8-10)21-2)15(19)22-9-14(18)16-7-3-4-13(16)17/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyPVSZDHYVDLRDDY-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.01
Rot. Bonds5

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate (PubChem CID 2474678) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate
PubChem CID2474678
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCCC2=O)c(OC)c1
InChIInChI=1S/C15H17NO6/c1-20-10-5-6-11(12(8-10)21-2)15(19)22-9-14(18)16-7-3-4-13(16)17/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyPVSZDHYVDLRDDY-UHFFFAOYSA-N
XLogP1.01
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate (CID 2474678) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)N2CCCC2=O)c(OC)c1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate?
The InChIKey is PVSZDHYVDLRDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6/c1-20-10-5-6-11(12(8-10)21-2)15(19)22-9-14(18)16-7-3-4-13(16)17/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate has a molecular weight of 307.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 2474678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).