benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate

C16H19NO5 — CID 11001233

IUPACbenzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate
SMILESCCOC(=O)CC1C(=O)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H19NO5/c1-2-21-15(19)10-13-14(18)8-9-17(13)16(20)22-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyPAKJWXUTGCGCIH-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.92
Rot. Bonds5

About benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate

benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate (PubChem CID 11001233) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate
PubChem CID11001233
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Namebenzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate
SMILESCCOC(=O)CC1C(=O)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H19NO5/c1-2-21-15(19)10-13-14(18)8-9-17(13)16(20)22-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyPAKJWXUTGCGCIH-UHFFFAOYSA-N
XLogP1.92
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate (CID 11001233) is benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate is CCOC(=O)CC1C(=O)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate?
The InChIKey is PAKJWXUTGCGCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-2-21-15(19)10-13-14(18)8-9-17(13)16(20)22-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate?
benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11001233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).