(3-amino-4-oxoazetidin-2-yl) acetate

C5H8N2O3 — CID 19350682

IUPAC(3-amino-4-oxoazetidin-2-yl) acetate
SMILESCC(=O)OC1NC(=O)C1N
InChIInChI=1S/C5H8N2O3/c1-2(8)10-5-3(6)4(9)7-5/h3,5H,6H2,1H3,(H,7,9)
InChIKeyKTIXRADTIPRGDB-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.67
Rot. Bonds1

About (3-amino-4-oxoazetidin-2-yl) acetate

(3-amino-4-oxoazetidin-2-yl) acetate (PubChem CID 19350682) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (3-amino-4-oxoazetidin-2-yl) acetate.

Molecular Properties

Compound Name(3-amino-4-oxoazetidin-2-yl) acetate
PubChem CID19350682
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(3-amino-4-oxoazetidin-2-yl) acetate
SMILESCC(=O)OC1NC(=O)C1N
InChIInChI=1S/C5H8N2O3/c1-2(8)10-5-3(6)4(9)7-5/h3,5H,6H2,1H3,(H,7,9)
InChIKeyKTIXRADTIPRGDB-UHFFFAOYSA-N
XLogP-1.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-oxoazetidin-2-yl) acetate?
The IUPAC name of (3-amino-4-oxoazetidin-2-yl) acetate (CID 19350682) is (3-amino-4-oxoazetidin-2-yl) acetate.
What is the SMILES notation for (3-amino-4-oxoazetidin-2-yl) acetate?
The canonical SMILES for (3-amino-4-oxoazetidin-2-yl) acetate is CC(=O)OC1NC(=O)C1N.
What is the InChIKey of (3-amino-4-oxoazetidin-2-yl) acetate?
The InChIKey is KTIXRADTIPRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-2(8)10-5-3(6)4(9)7-5/h3,5H,6H2,1H3,(H,7,9).
What are the key properties of (3-amino-4-oxoazetidin-2-yl) acetate?
(3-amino-4-oxoazetidin-2-yl) acetate has a molecular weight of 144.13 g/mol, XLogP of -1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-oxoazetidin-2-yl) acetate is sourced from PubChem (CID 19350682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).