tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate

C11H19NO4 — CID 121223817

IUPACtert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)CC1CCO
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)7-12-8(4-5-13)6-9(12)14/h8,13H,4-7H2,1-3H3
InChIKeyORWWPHCBVJUMCD-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.31
Rot. Bonds4

About tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate

tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate (PubChem CID 121223817) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate
PubChem CID121223817
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)CC1CCO
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)7-12-8(4-5-13)6-9(12)14/h8,13H,4-7H2,1-3H3
InChIKeyORWWPHCBVJUMCD-UHFFFAOYSA-N
XLogP0.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate (CID 121223817) is tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate is CC(C)(C)OC(=O)CN1C(=O)CC1CCO.
What is the InChIKey of tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate?
The InChIKey is ORWWPHCBVJUMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)7-12-8(4-5-13)6-9(12)14/h8,13H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate?
tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate has a molecular weight of 229.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate is sourced from PubChem (CID 121223817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).