(2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate

C17H23NO5 — CID 4033365

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N2CCCC2)cc1OCC
InChIInChI=1S/C17H23NO5/c1-3-21-14-8-7-13(11-15(14)22-4-2)17(20)23-12-16(19)18-9-5-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyDNWNHRSQWUGZKF-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.26
Rot. Bonds7

About (2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate (PubChem CID 4033365) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate
PubChem CID4033365
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N2CCCC2)cc1OCC
InChIInChI=1S/C17H23NO5/c1-3-21-14-8-7-13(11-15(14)22-4-2)17(20)23-12-16(19)18-9-5-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyDNWNHRSQWUGZKF-UHFFFAOYSA-N
XLogP2.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.26
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) 3,4-diethoxybenzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate (CID 4033365) is (2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)N2CCCC2)cc1OCC.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate?
The InChIKey is DNWNHRSQWUGZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-3-21-14-8-7-13(11-15(14)22-4-2)17(20)23-12-16(19)18-9-5-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate has a molecular weight of 321.37 g/mol, XLogP of 2.26, 7 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) 3,4-diethoxybenzoate is sourced from PubChem (CID 4033365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).