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

C7H11NO3 — CID 59991126

IUPAC[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)NC1(C)C
InChIInChI=1S/C7H11NO3/c1-4(9)11-5-6(10)8-7(5,2)3/h5H,1-3H3,(H,8,10)/t5-/m0/s1
InChIKeyAPXMFXZNZSSSEQ-YFKPBYRVSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds1

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

[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate (PubChem CID 59991126) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
PubChem CID59991126
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)NC1(C)C
InChIInChI=1S/C7H11NO3/c1-4(9)11-5-6(10)8-7(5,2)3/h5H,1-3H3,(H,8,10)/t5-/m0/s1
InChIKeyAPXMFXZNZSSSEQ-YFKPBYRVSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
CID 59064357
[(1S,4S)-2,2,4-trimethyl-6-oxocyclohexyl] acetate
CID 71394308
(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
[(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
methyl 6,6-dimethyl-2,4-dioxopiperidine-3-carboxylate
CID 19898238
[(3R,4R,5S,6S)-4,5,6-triacetyloxy-7-oxoazepan-3-yl] acetate
CID 14135288
[(2R,3S,4S)-4-acetyloxy-3-hydroxy-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 139069127
[(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate
CID 102222775
(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) acetate
CID 58843012

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate?
The IUPAC name of [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate (CID 59991126) is [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate.
What is the SMILES notation for [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate?
The canonical SMILES for [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate is CC(=O)O[C@H]1C(=O)NC1(C)C.
What is the InChIKey of [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate?
The InChIKey is APXMFXZNZSSSEQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(9)11-5-6(10)8-7(5,2)3/h5H,1-3H3,(H,8,10)/t5-/m0/s1.
What are the key properties of [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate?
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate has a molecular weight of 157.17 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate is sourced from PubChem (CID 59991126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).