ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate

C17H20N2O5 — CID 67698283

IUPACethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)N(C(C)=O)[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C17H20N2O5/c1-3-24-14(21)9-13-15(19(11(2)20)17(13)23)16(22)18-10-12-7-5-4-6-8-12/h4-8,13,15H,3,9-10H2,1-2H3,(H,18,22)/t13-,15-/m1/s1
InChIKeyWZSQGXJRCXJJDT-UKRRQHHQSA-N
MW332.36 g/mol
LogP0.63
Rot. Bonds6

About ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate

ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate (PubChem CID 67698283) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate
PubChem CID67698283
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nameethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)N(C(C)=O)[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C17H20N2O5/c1-3-24-14(21)9-13-15(19(11(2)20)17(13)23)16(22)18-10-12-7-5-4-6-8-12/h4-8,13,15H,3,9-10H2,1-2H3,(H,18,22)/t13-,15-/m1/s1
InChIKeyWZSQGXJRCXJJDT-UKRRQHHQSA-N
XLogP0.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate with MolForge

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Related Compounds

(2S,3R)-1-acetyl-3-(2-ethoxy-2-oxoethyl)-2,3-dihydroindole-2-carboxylic acid
CID 101015135
methyl (2R,3R)-1-acetyl-3-(3-ethoxy-3-oxopropyl)-4-oxoazetidine-2-carboxylate
CID 67699176
ethyl (2S,3R)-1-acetyl-3-(2-ethoxy-2-oxoethyl)-2,3-dihydroindole-2-carboxylate
CID 10781881
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
ethyl 2-[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridin-3-yl]acetate
CID 102287686
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate
CID 83993679
(4S,5S)-4-N,5-N,1,3-tetrabenzyl-2-oxoimidazolidine-4,5-dicarboxamide
CID 98456274
ethyl 2-[benzylcarbamoyl(methyl)amino]acetate
CID 10243836
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
ethyl 2-[(3S,4R)-1-benzyl-4-(2-bromophenyl)-2-oxo-3,4-dihydropyridin-3-yl]acetate
CID 102287685

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate (CID 67698283) is ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate is CCOC(=O)C[C@H]1C(=O)N(C(C)=O)[C@H]1C(=O)NCc1ccccc1.
What is the InChIKey of ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate?
The InChIKey is WZSQGXJRCXJJDT-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-3-24-14(21)9-13-15(19(11(2)20)17(13)23)16(22)18-10-12-7-5-4-6-8-12/h4-8,13,15H,3,9-10H2,1-2H3,(H,18,22)/t13-,15-/m1/s1.
What are the key properties of ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate?
ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate has a molecular weight of 332.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,3R)-1-acetyl-2-(benzylcarbamoyl)-4-oxoazetidin-3-yl]acetate is sourced from PubChem (CID 67698283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).