(2-ethoxy-5-oxopyrrolidin-3-yl) acetate

C8H13NO4 — CID 74961577

IUPAC(2-ethoxy-5-oxopyrrolidin-3-yl) acetate
SMILESCCOC1NC(=O)CC1OC(C)=O
InChIInChI=1S/C8H13NO4/c1-3-12-8-6(13-5(2)10)4-7(11)9-8/h6,8H,3-4H2,1-2H3,(H,9,11)
InChIKeyKDMLNAZBVGKWON-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.20
Rot. Bonds3

About (2-ethoxy-5-oxopyrrolidin-3-yl) acetate

(2-ethoxy-5-oxopyrrolidin-3-yl) acetate (PubChem CID 74961577) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2-ethoxy-5-oxopyrrolidin-3-yl) acetate.

Molecular Properties

Compound Name(2-ethoxy-5-oxopyrrolidin-3-yl) acetate
PubChem CID74961577
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2-ethoxy-5-oxopyrrolidin-3-yl) acetate
SMILESCCOC1NC(=O)CC1OC(C)=O
InChIInChI=1S/C8H13NO4/c1-3-12-8-6(13-5(2)10)4-7(11)9-8/h6,8H,3-4H2,1-2H3,(H,9,11)
InChIKeyKDMLNAZBVGKWON-UHFFFAOYSA-N
XLogP-0.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-ethoxy-5-oxopyrrolidin-3-yl) acetate 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 (2-ethoxy-5-oxopyrrolidin-3-yl) acetate?
The IUPAC name of (2-ethoxy-5-oxopyrrolidin-3-yl) acetate (CID 74961577) is (2-ethoxy-5-oxopyrrolidin-3-yl) acetate.
What is the SMILES notation for (2-ethoxy-5-oxopyrrolidin-3-yl) acetate?
The canonical SMILES for (2-ethoxy-5-oxopyrrolidin-3-yl) acetate is CCOC1NC(=O)CC1OC(C)=O.
What is the InChIKey of (2-ethoxy-5-oxopyrrolidin-3-yl) acetate?
The InChIKey is KDMLNAZBVGKWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-3-12-8-6(13-5(2)10)4-7(11)9-8/h6,8H,3-4H2,1-2H3,(H,9,11).
What are the key properties of (2-ethoxy-5-oxopyrrolidin-3-yl) acetate?
(2-ethoxy-5-oxopyrrolidin-3-yl) acetate has a molecular weight of 187.19 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-oxopyrrolidin-3-yl) acetate is sourced from PubChem (CID 74961577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).