[3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate

C8H13NO4 — CID 21339274

IUPAC[3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate
SMILESCOC(C)C1C(=O)NC1OC(C)=O
InChIInChI=1S/C8H13NO4/c1-4(12-3)6-7(11)9-8(6)13-5(2)10/h4,6,8H,1-3H3,(H,9,11)
InChIKeyXUJUAGZQJOXDNX-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.34
Rot. Bonds3

About [3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate

[3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate (PubChem CID 21339274) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is [3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate
PubChem CID21339274
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name[3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate
SMILESCOC(C)C1C(=O)NC1OC(C)=O
InChIInChI=1S/C8H13NO4/c1-4(12-3)6-7(11)9-8(6)13-5(2)10/h4,6,8H,1-3H3,(H,9,11)
InChIKeyXUJUAGZQJOXDNX-UHFFFAOYSA-N
XLogP-0.34
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 ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate (CID 21339274) is [3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate is COC(C)C1C(=O)NC1OC(C)=O.
What is the InChIKey of [3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate?
The InChIKey is XUJUAGZQJOXDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-4(12-3)6-7(11)9-8(6)13-5(2)10/h4,6,8H,1-3H3,(H,9,11).
What are the key properties of [3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate?
[3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate has a molecular weight of 187.19 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methoxyethyl)-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 21339274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).