(1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate

C9H13NO4 — CID 14543795

IUPAC(1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate
SMILESCCC1C(=O)N(C(C)=O)C1OC(C)=O
InChIInChI=1S/C9H13NO4/c1-4-7-8(13)10(5(2)11)9(7)14-6(3)12/h7,9H,4H2,1-3H3
InChIKeyHPOLAOSQGKEDSD-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.29
Rot. Bonds2

About (1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate

(1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate (PubChem CID 14543795) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is (1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate.

Molecular Properties

Compound Name(1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate
PubChem CID14543795
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name(1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate
SMILESCCC1C(=O)N(C(C)=O)C1OC(C)=O
InChIInChI=1S/C9H13NO4/c1-4-7-8(13)10(5(2)11)9(7)14-6(3)12/h7,9H,4H2,1-3H3
InChIKeyHPOLAOSQGKEDSD-UHFFFAOYSA-N
XLogP0.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate?
The IUPAC name of (1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate (CID 14543795) is (1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate.
What is the SMILES notation for (1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate?
The canonical SMILES for (1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate is CCC1C(=O)N(C(C)=O)C1OC(C)=O.
What is the InChIKey of (1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate?
The InChIKey is HPOLAOSQGKEDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-4-7-8(13)10(5(2)11)9(7)14-6(3)12/h7,9H,4H2,1-3H3.
What are the key properties of (1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate?
(1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate has a molecular weight of 199.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate is sourced from PubChem (CID 14543795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).