[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate

C7H11NO3 — CID 59064357

IUPAC[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1NC(=O)C1(C)C
InChIInChI=1S/C7H11NO3/c1-4(9)11-6-7(2,3)5(10)8-6/h6H,1-3H3,(H,8,10)/t6-/m0/s1
InChIKeyWQNXKULTSRGJDY-LURJTMIESA-N
MW157.17 g/mol
LogP0.03
Rot. Bonds1

About [(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate

[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate (PubChem CID 59064357) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
PubChem CID59064357
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1NC(=O)C1(C)C
InChIInChI=1S/C7H11NO3/c1-4(9)11-6-7(2,3)5(10)8-6/h6H,1-3H3,(H,8,10)/t6-/m0/s1
InChIKeyWQNXKULTSRGJDY-LURJTMIESA-N
XLogP0.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
CID 59991126
(3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate
CID 139747689
[(2S,3R)-3-methylsulfanyl-3-[(4-nitrophenyl)methylideneamino]-4-oxoazetidin-2-yl] acetate
CID 70589261
[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
CID 15428308
[(4R,5R)-5-fluoro-2,6-dioxo-1,3-diazinan-4-yl] acetate
CID 12512972
[(2S)-5-oxo-1,2-dihydropyrrol-2-yl] acetate
CID 11194386
[(1R,5S,6R,8S)-7,8-diacetyloxy-3-oxo-2,4-diazabicyclo[3.3.1]nonan-6-yl] acetate
CID 24769927
(2-oxo-4-propan-2-ylazetidin-3-yl) acetate
CID 22382233
(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide
CID 158302570
[(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate
CID 71408042
4-methoxy-3,3,5-trimethylpyrrolidin-2-one
CID 130010210
(6-oxopiperazin-2-yl) acetate
CID 174447712

Frequently Asked Questions

What is the IUPAC name of [(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate (CID 59064357) is [(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@@H]1NC(=O)C1(C)C.
What is the InChIKey of [(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate?
The InChIKey is WQNXKULTSRGJDY-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(9)11-6-7(2,3)5(10)8-6/h6H,1-3H3,(H,8,10)/t6-/m0/s1.
What are the key properties of [(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate?
[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate has a molecular weight of 157.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 59064357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).