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

C5H6NO3- — CID 23049540

IUPAC2-(2-oxoazetidin-1-yl)acetate
SMILESO=C([O-])CN1CCC1=O
InChIInChI=1S/C5H7NO3/c7-4-1-2-6(4)3-5(8)9/h1-3H2,(H,8,9)/p-1
InChIKeyRZRRJTZLVKZGRN-UHFFFAOYSA-M
MW128.11 g/mol
LogP-2.03
Rot. Bonds2

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

2-(2-oxoazetidin-1-yl)acetate (PubChem CID 23049540) has the molecular formula C5H6NO3- and a molecular weight of 128.11 g/mol. Its IUPAC name is 2-(2-oxoazetidin-1-yl)acetate.

Molecular Properties

Compound Name2-(2-oxoazetidin-1-yl)acetate
PubChem CID23049540
Molecular FormulaC5H6NO3-
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name2-(2-oxoazetidin-1-yl)acetate
SMILESO=C([O-])CN1CCC1=O
InChIInChI=1S/C5H7NO3/c7-4-1-2-6(4)3-5(8)9/h1-3H2,(H,8,9)/p-1
InChIKeyRZRRJTZLVKZGRN-UHFFFAOYSA-M
XLogP-2.03
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopiperidin-1-yl)acetate
CID 18981165
2-(2-oxoazetidin-1-yl)acetyl chloride
CID 154256818
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
1-(aminomethyl)azetidin-2-one
CID 70516989
2-(2,4-dioxoimidazolidin-1-yl)acetate
CID 7219893
2-[2,6-dioxo-5-(2-oxoethenyl)-1,5-diazocan-1-yl]acetic acid
CID 139993356
1-(2,2,2-trifluoroethyl)azetidin-2-one
CID 67080567
1-(methoxymethyl)azetidin-2-one
CID 154386918
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134
1-[2-(4-nitrophenyl)-2-oxoethyl]piperidin-2-one
CID 62024655
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazetidin-1-yl)acetate?
The IUPAC name of 2-(2-oxoazetidin-1-yl)acetate (CID 23049540) is 2-(2-oxoazetidin-1-yl)acetate.
What is the SMILES notation for 2-(2-oxoazetidin-1-yl)acetate?
The canonical SMILES for 2-(2-oxoazetidin-1-yl)acetate is O=C([O-])CN1CCC1=O.
What is the InChIKey of 2-(2-oxoazetidin-1-yl)acetate?
The InChIKey is RZRRJTZLVKZGRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO3/c7-4-1-2-6(4)3-5(8)9/h1-3H2,(H,8,9)/p-1.
What are the key properties of 2-(2-oxoazetidin-1-yl)acetate?
2-(2-oxoazetidin-1-yl)acetate has a molecular weight of 128.11 g/mol, XLogP of -2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazetidin-1-yl)acetate is sourced from PubChem (CID 23049540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).