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

C6H10N2O3 — CID 21244615

IUPAC(3-amino-4-oxoazetidin-2-yl)methyl acetate
SMILESCC(=O)OCC1NC(=O)C1N
InChIInChI=1S/C6H10N2O3/c1-3(9)11-2-4-5(7)6(10)8-4/h4-5H,2,7H2,1H3,(H,8,10)
InChIKeyPKNHXQJTQUXEIT-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.62
Rot. Bonds2

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

(3-amino-4-oxoazetidin-2-yl)methyl acetate (PubChem CID 21244615) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (3-amino-4-oxoazetidin-2-yl)methyl acetate.

Molecular Properties

Compound Name(3-amino-4-oxoazetidin-2-yl)methyl acetate
PubChem CID21244615
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(3-amino-4-oxoazetidin-2-yl)methyl acetate
SMILESCC(=O)OCC1NC(=O)C1N
InChIInChI=1S/C6H10N2O3/c1-3(9)11-2-4-5(7)6(10)8-4/h4-5H,2,7H2,1H3,(H,8,10)
InChIKeyPKNHXQJTQUXEIT-UHFFFAOYSA-N
XLogP-1.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.62
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)methyl acetate?
The IUPAC name of (3-amino-4-oxoazetidin-2-yl)methyl acetate (CID 21244615) is (3-amino-4-oxoazetidin-2-yl)methyl acetate.
What is the SMILES notation for (3-amino-4-oxoazetidin-2-yl)methyl acetate?
The canonical SMILES for (3-amino-4-oxoazetidin-2-yl)methyl acetate is CC(=O)OCC1NC(=O)C1N.
What is the InChIKey of (3-amino-4-oxoazetidin-2-yl)methyl acetate?
The InChIKey is PKNHXQJTQUXEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3(9)11-2-4-5(7)6(10)8-4/h4-5H,2,7H2,1H3,(H,8,10).
What are the key properties of (3-amino-4-oxoazetidin-2-yl)methyl acetate?
(3-amino-4-oxoazetidin-2-yl)methyl acetate has a molecular weight of 158.16 g/mol, XLogP of -1.62, 2 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)methyl acetate is sourced from PubChem (CID 21244615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).