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

C9H15NO3 — CID 23461785

IUPAC1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)CC1(C)CC(=O)N1
InChIInChI=1S/C9H15NO3/c1-6(13-7(2)11)4-9(3)5-8(12)10-9/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyLDRYYEBXBADQKE-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds3

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

1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate (PubChem CID 23461785) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate.

Molecular Properties

Compound Name1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate
PubChem CID23461785
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)CC1(C)CC(=O)N1
InChIInChI=1S/C9H15NO3/c1-6(13-7(2)11)4-9(3)5-8(12)10-9/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyLDRYYEBXBADQKE-UHFFFAOYSA-N
XLogP0.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate?
The IUPAC name of 1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate (CID 23461785) is 1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate.
What is the SMILES notation for 1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate?
The canonical SMILES for 1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate is CC(=O)OC(C)CC1(C)CC(=O)N1.
What is the InChIKey of 1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate?
The InChIKey is LDRYYEBXBADQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(13-7(2)11)4-9(3)5-8(12)10-9/h6H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate?
1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate has a molecular weight of 185.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate is sourced from PubChem (CID 23461785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).