(2-oxo-4-propan-2-ylazetidin-3-yl) acetate

C8H13NO3 — CID 22382233

IUPAC(2-oxo-4-propan-2-ylazetidin-3-yl) acetate
SMILESCC(=O)OC1C(=O)NC1C(C)C
InChIInChI=1S/C8H13NO3/c1-4(2)6-7(8(11)9-6)12-5(3)10/h4,6-7H,1-3H3,(H,9,11)
InChIKeyWSZLMZBKKXSIQB-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.07
Rot. Bonds2

About (2-oxo-4-propan-2-ylazetidin-3-yl) acetate

(2-oxo-4-propan-2-ylazetidin-3-yl) acetate (PubChem CID 22382233) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2-oxo-4-propan-2-ylazetidin-3-yl) acetate.

Molecular Properties

Compound Name(2-oxo-4-propan-2-ylazetidin-3-yl) acetate
PubChem CID22382233
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2-oxo-4-propan-2-ylazetidin-3-yl) acetate
SMILESCC(=O)OC1C(=O)NC1C(C)C
InChIInChI=1S/C8H13NO3/c1-4(2)6-7(8(11)9-6)12-5(3)10/h4,6-7H,1-3H3,(H,9,11)
InChIKeyWSZLMZBKKXSIQB-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl] acetate
CID 19591321
[(2R,3S)-2-(4-cyanophenyl)-4-oxoazetidin-3-yl] acetate
CID 122372048
[(4S,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate
CID 71408042
[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate
CID 173351934
[(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate
CID 134863514
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
CID 59991126
[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
CID 15428308
[(2S)-5-oxo-1,2-dihydropyrrol-2-yl] acetate
CID 11194386
[(1R,2R)-2-propan-2-ylcyclopentyl] acetate
CID 158589886
[(3R,4R,5S,6S)-4,5,6-triacetyloxy-7-oxoazepan-3-yl] acetate
CID 14135288
[(2R,3S,4S)-5-acetyloxy-3-methyl-2-propan-2-yl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 160780876
[(3S,4S)-2-oxo-1-phenylsulfanyl-4-propan-2-ylazetidin-3-yl] acetate
CID 102078290

Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-propan-2-ylazetidin-3-yl) acetate?
The IUPAC name of (2-oxo-4-propan-2-ylazetidin-3-yl) acetate (CID 22382233) is (2-oxo-4-propan-2-ylazetidin-3-yl) acetate.
What is the SMILES notation for (2-oxo-4-propan-2-ylazetidin-3-yl) acetate?
The canonical SMILES for (2-oxo-4-propan-2-ylazetidin-3-yl) acetate is CC(=O)OC1C(=O)NC1C(C)C.
What is the InChIKey of (2-oxo-4-propan-2-ylazetidin-3-yl) acetate?
The InChIKey is WSZLMZBKKXSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-4(2)6-7(8(11)9-6)12-5(3)10/h4,6-7H,1-3H3,(H,9,11).
What are the key properties of (2-oxo-4-propan-2-ylazetidin-3-yl) acetate?
(2-oxo-4-propan-2-ylazetidin-3-yl) acetate has a molecular weight of 171.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-propan-2-ylazetidin-3-yl) acetate is sourced from PubChem (CID 22382233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).