benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate

C14H16FNO3 — CID 70475243

IUPACbenzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate
SMILESO=C(CC1NC(=O)C1CCF)OCc1ccccc1
InChIInChI=1S/C14H16FNO3/c15-7-6-11-12(16-14(11)18)8-13(17)19-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,18)
InChIKeyOVETWDRGMMLGBS-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.59
Rot. Bonds6

About benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate

benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate (PubChem CID 70475243) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate
PubChem CID70475243
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Namebenzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate
SMILESO=C(CC1NC(=O)C1CCF)OCc1ccccc1
InChIInChI=1S/C14H16FNO3/c15-7-6-11-12(16-14(11)18)8-13(17)19-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,18)
InChIKeyOVETWDRGMMLGBS-UHFFFAOYSA-N
XLogP1.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1S,2R)-methyl 2-((1S,2R)-2-(benzyloxycarbonylamino)cyclobutanecarboxamido)cyclobutanecarboxylate
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methyl 5-((1S,2R)-2-(benzyloxycarbonylamino)cyclobutanecarboxamido)pentanoate
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CID 21604546
Methyl 5-oxo-5-(1-phenylmethoxyhexadecan-2-ylamino)pentanoate
CID 44420219
3-((1R,2S)-2-(benzyloxycarbonylamino)cyclobutanecarboxamido)propanoic acid
CID 44592984
(1R,2S)-methyl 2-((1R,2S)-2-(benzyloxycarbonylamino)cyclobutanecarboxamido)cyclobutanecarboxylate
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CID 71372039
cis-benzyl (1R,2S)-2-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylate
CID 101268070
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CID 12003540

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate?
The IUPAC name of benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate (CID 70475243) is benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate is O=C(CC1NC(=O)C1CCF)OCc1ccccc1.
What is the InChIKey of benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate?
The InChIKey is OVETWDRGMMLGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-7-6-11-12(16-14(11)18)8-13(17)19-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,18).
What are the key properties of benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate?
benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate has a molecular weight of 265.28 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-(2-fluoroethyl)-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 70475243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).