(1-acetamido-2-oxoazetidin-3-yl) acetate

C7H10N2O4 — CID 67719008

IUPAC(1-acetamido-2-oxoazetidin-3-yl) acetate
SMILESCC(=O)NN1CC(OC(C)=O)C1=O
InChIInChI=1S/C7H10N2O4/c1-4(10)8-9-3-6(7(9)12)13-5(2)11/h6H,3H2,1-2H3,(H,8,10)
InChIKeyGQCGXKUAYZTNNO-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.19
Rot. Bonds2

About (1-acetamido-2-oxoazetidin-3-yl) acetate

(1-acetamido-2-oxoazetidin-3-yl) acetate (PubChem CID 67719008) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is (1-acetamido-2-oxoazetidin-3-yl) acetate.

Molecular Properties

Compound Name(1-acetamido-2-oxoazetidin-3-yl) acetate
PubChem CID67719008
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name(1-acetamido-2-oxoazetidin-3-yl) acetate
SMILESCC(=O)NN1CC(OC(C)=O)C1=O
InChIInChI=1S/C7H10N2O4/c1-4(10)8-9-3-6(7(9)12)13-5(2)11/h6H,3H2,1-2H3,(H,8,10)
InChIKeyGQCGXKUAYZTNNO-UHFFFAOYSA-N
XLogP-1.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176
N-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetamide
CID 69352923
[(3S)-1-(2-chloro-2-oxoethyl)-2,5-dioxopyrrolidin-3-yl] acetate
CID 14097836
(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate
CID 101212712
trans-methyl (1S,4S)-4-acetyloxy-2,5-dioxocyclohexane-1-carboxylate
CID 42552848
(1-benzoylsulfanyl-2,5-dioxopyrrolidin-3-yl) acetate
CID 19027349
(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide
CID 158302570
potassium (3S)-3-acetamido-2-oxoazetidine-1-sulfonate
CID 23680741
1-O-tert-butyl 2-O-methyl (2S,4R)-4-acetyloxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 15516197
N-(3-methoxyazetidin-1-yl)acetamide
CID 142684133
[(1S,5S)-5-acetyloxy-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl] acetate
CID 10658458
[(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 143380202

Frequently Asked Questions

What is the IUPAC name of (1-acetamido-2-oxoazetidin-3-yl) acetate?
The IUPAC name of (1-acetamido-2-oxoazetidin-3-yl) acetate (CID 67719008) is (1-acetamido-2-oxoazetidin-3-yl) acetate.
What is the SMILES notation for (1-acetamido-2-oxoazetidin-3-yl) acetate?
The canonical SMILES for (1-acetamido-2-oxoazetidin-3-yl) acetate is CC(=O)NN1CC(OC(C)=O)C1=O.
What is the InChIKey of (1-acetamido-2-oxoazetidin-3-yl) acetate?
The InChIKey is GQCGXKUAYZTNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-4(10)8-9-3-6(7(9)12)13-5(2)11/h6H,3H2,1-2H3,(H,8,10).
What are the key properties of (1-acetamido-2-oxoazetidin-3-yl) acetate?
(1-acetamido-2-oxoazetidin-3-yl) acetate has a molecular weight of 186.17 g/mol, XLogP of -1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetamido-2-oxoazetidin-3-yl) acetate is sourced from PubChem (CID 67719008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).