[3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate

C14H21NO4 — CID 67963797

IUPAC[3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate
SMILESC=C(C)C(=O)N1C(=O)C(CC)(CC)C1OC(=O)CC
InChIInChI=1S/C14H21NO4/c1-6-10(16)19-13-14(7-2,8-3)12(18)15(13)11(17)9(4)5/h13H,4,6-8H2,1-3,5H3
InChIKeyVUQSGOOPMLZVMV-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.02
Rot. Bonds5

About [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate

[3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate (PubChem CID 67963797) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate.

Molecular Properties

Compound Name[3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate
PubChem CID67963797
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name[3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate
SMILESC=C(C)C(=O)N1C(=O)C(CC)(CC)C1OC(=O)CC
InChIInChI=1S/C14H21NO4/c1-6-10(16)19-13-14(7-2,8-3)12(18)15(13)11(17)9(4)5/h13H,4,6-8H2,1-3,5H3
InChIKeyVUQSGOOPMLZVMV-UHFFFAOYSA-N
XLogP2.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate 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 [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate?
The IUPAC name of [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate (CID 67963797) is [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate.
What is the SMILES notation for [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate?
The canonical SMILES for [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate is C=C(C)C(=O)N1C(=O)C(CC)(CC)C1OC(=O)CC.
What is the InChIKey of [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate?
The InChIKey is VUQSGOOPMLZVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-6-10(16)19-13-14(7-2,8-3)12(18)15(13)11(17)9(4)5/h13H,4,6-8H2,1-3,5H3.
What are the key properties of [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate?
[3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate has a molecular weight of 267.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-diethyl-1-(2-methylprop-2-enoyl)-4-oxoazetidin-2-yl] propanoate is sourced from PubChem (CID 67963797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).