(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate

C15H19NO5 — CID 2356199

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H19NO5/c1-19-12-7-11(8-13(9-12)20-2)15(18)21-10-14(17)16-5-3-4-6-16/h7-9H,3-6,10H2,1-2H3
InChIKeyGONRRJFKTBZGQW-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.48
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate (PubChem CID 2356199) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate
PubChem CID2356199
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H19NO5/c1-19-12-7-11(8-13(9-12)20-2)15(18)21-10-14(17)16-5-3-4-6-16/h7-9H,3-6,10H2,1-2H3
InChIKeyGONRRJFKTBZGQW-UHFFFAOYSA-N
XLogP1.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate (CID 2356199) is (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCC(=O)N2CCCC2)c1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate?
The InChIKey is GONRRJFKTBZGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-12-7-11(8-13(9-12)20-2)15(18)21-10-14(17)16-5-3-4-6-16/h7-9H,3-6,10H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate has a molecular weight of 293.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-dimethoxybenzoate is sourced from PubChem (CID 2356199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).