(1-deuterio-4-oxoazetidin-2-yl) acetate

C5H7NO3 — CID 175764758

IUPAC(1-deuterio-4-oxoazetidin-2-yl) acetate
SMILES[2H]N1C(=O)CC1OC(C)=O
InChIInChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)/i/hD
InChIKeyOEYMQQDJCUHKQS-DYCDLGHISA-N
MW130.12 g/mol
LogP-0.60
Rot. Bonds1

About (1-deuterio-4-oxoazetidin-2-yl) acetate

(1-deuterio-4-oxoazetidin-2-yl) acetate (PubChem CID 175764758) has the molecular formula C5H7NO3 and a molecular weight of 130.12 g/mol. Its IUPAC name is (1-deuterio-4-oxoazetidin-2-yl) acetate.

Molecular Properties

Compound Name(1-deuterio-4-oxoazetidin-2-yl) acetate
PubChem CID175764758
Molecular FormulaC5H7NO3
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name(1-deuterio-4-oxoazetidin-2-yl) acetate
SMILES[2H]N1C(=O)CC1OC(C)=O
InChIInChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)/i/hD
InChIKeyOEYMQQDJCUHKQS-DYCDLGHISA-N
XLogP-0.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-oxopiperazin-2-yl) acetate
CID 174447712
(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide
CID 158302570
[(2S,3S)-2-ethoxy-5-oxopyrrolidin-3-yl] acetate
CID 101107955
(5R)-5-acetyloxy-3-oxocyclopentene-1-carboxylic acid
CID 131142787
(2,5-dioxo-7-bicyclo[4.2.0]octa-1(6),3-dienyl) acetate
CID 71342936
[(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate
CID 94839790
[(1R,5S,6R,8S)-7,8-diacetyloxy-3-oxo-2,4-diazabicyclo[3.3.1]nonan-6-yl] acetate
CID 24769927
[(1S)-2-formyl-4-oxocyclopent-2-en-1-yl] acetate
CID 22812774
trans-methyl (1S,4S)-4-acetyloxy-2,5-dioxocyclohexane-1-carboxylate
CID 42552848
[(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
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(3S)-morpholin-3-yl] acetate
CID 174732554

Frequently Asked Questions

What is the IUPAC name of (1-deuterio-4-oxoazetidin-2-yl) acetate?
The IUPAC name of (1-deuterio-4-oxoazetidin-2-yl) acetate (CID 175764758) is (1-deuterio-4-oxoazetidin-2-yl) acetate.
What is the SMILES notation for (1-deuterio-4-oxoazetidin-2-yl) acetate?
The canonical SMILES for (1-deuterio-4-oxoazetidin-2-yl) acetate is [2H]N1C(=O)CC1OC(C)=O.
What is the InChIKey of (1-deuterio-4-oxoazetidin-2-yl) acetate?
The InChIKey is OEYMQQDJCUHKQS-DYCDLGHISA-N. The full InChI is InChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)/i/hD.
What are the key properties of (1-deuterio-4-oxoazetidin-2-yl) acetate?
(1-deuterio-4-oxoazetidin-2-yl) acetate has a molecular weight of 130.12 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-deuterio-4-oxoazetidin-2-yl) acetate is sourced from PubChem (CID 175764758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).