1-(4-oxoazetidin-2-yl)propan-2-yl acetate

C8H13NO3 — CID 14328991

IUPAC1-(4-oxoazetidin-2-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)CC1CC(=O)N1
InChIInChI=1S/C8H13NO3/c1-5(12-6(2)10)3-7-4-8(11)9-7/h5,7H,3-4H2,1-2H3,(H,9,11)
InChIKeyCZJQFERPWWWKME-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds3

About 1-(4-oxoazetidin-2-yl)propan-2-yl acetate

1-(4-oxoazetidin-2-yl)propan-2-yl acetate (PubChem CID 14328991) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(4-oxoazetidin-2-yl)propan-2-yl acetate.

Molecular Properties

Compound Name1-(4-oxoazetidin-2-yl)propan-2-yl acetate
PubChem CID14328991
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-(4-oxoazetidin-2-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)CC1CC(=O)N1
InChIInChI=1S/C8H13NO3/c1-5(12-6(2)10)3-7-4-8(11)9-7/h5,7H,3-4H2,1-2H3,(H,9,11)
InChIKeyCZJQFERPWWWKME-UHFFFAOYSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxoazetidin-2-yl)propan-2-yl acetate?
The IUPAC name of 1-(4-oxoazetidin-2-yl)propan-2-yl acetate (CID 14328991) is 1-(4-oxoazetidin-2-yl)propan-2-yl acetate.
What is the SMILES notation for 1-(4-oxoazetidin-2-yl)propan-2-yl acetate?
The canonical SMILES for 1-(4-oxoazetidin-2-yl)propan-2-yl acetate is CC(=O)OC(C)CC1CC(=O)N1.
What is the InChIKey of 1-(4-oxoazetidin-2-yl)propan-2-yl acetate?
The InChIKey is CZJQFERPWWWKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(12-6(2)10)3-7-4-8(11)9-7/h5,7H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 1-(4-oxoazetidin-2-yl)propan-2-yl acetate?
1-(4-oxoazetidin-2-yl)propan-2-yl acetate has a molecular weight of 171.20 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxoazetidin-2-yl)propan-2-yl acetate is sourced from PubChem (CID 14328991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).