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

C20H19NO4 — CID 2109625

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate
SMILESO=C(OCC(=O)N1CCCC1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO4/c22-17-12-7-13-21(17)18(23)14-25-20(24)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,19H,7,12-14H2
InChIKeyHVYSYSPBRGOWQP-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.51
Rot. Bonds5

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

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate (PubChem CID 2109625) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate
PubChem CID2109625
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate
SMILESO=C(OCC(=O)N1CCCC1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO4/c22-17-12-7-13-21(17)18(23)14-25-20(24)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,19H,7,12-14H2
InChIKeyHVYSYSPBRGOWQP-UHFFFAOYSA-N
XLogP2.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate (CID 2109625) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate is O=C(OCC(=O)N1CCCC1=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate?
The InChIKey is HVYSYSPBRGOWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-17-12-7-13-21(17)18(23)14-25-20(24)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,19H,7,12-14H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate has a molecular weight of 337.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,2-diphenylacetate is sourced from PubChem (CID 2109625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).