ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate

C19H17NO5 — CID 101178655

IUPACethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](Oc2ccccc2)C(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C19H17NO5/c1-2-24-19(23)15-16(25-14-11-7-4-8-12-14)18(22)20(15)17(21)13-9-5-3-6-10-13/h3-12,15-16H,2H2,1H3/t15-,16-/m1/s1
InChIKeyFMSRMMFWAXUAJC-HZPDHXFCSA-N
MW339.35 g/mol
LogP2.05
Rot. Bonds5

About ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate

ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate (PubChem CID 101178655) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate
PubChem CID101178655
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Nameethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](Oc2ccccc2)C(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C19H17NO5/c1-2-24-19(23)15-16(25-14-11-7-4-8-12-14)18(22)20(15)17(21)13-9-5-3-6-10-13/h3-12,15-16H,2H2,1H3/t15-,16-/m1/s1
InChIKeyFMSRMMFWAXUAJC-HZPDHXFCSA-N
XLogP2.05
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 15304696
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cis-ethyl (1S,2R)-2-phenoxycyclopropane-1-carboxylate
CID 134969081
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
CID 15215130
trans-diethyl (1R,2R)-4-(3-benzoyl-2,4-dioxopyrimidin-1-yl)cyclopentane-1,2-dicarboxylate
CID 71518044
ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate
CID 102569820
ethyl 1-benzoyl-6,6-dimethyl-4-oxopiperidine-3-carboxylate
CID 118991717
ethyl (2R,3R)-1-(4-methoxyphenyl)-3-phenylaziridine-2-carboxylate
CID 11033818
ethyl (2S,3S)-3-(4-methoxyphenyl)-1-phenylaziridine-2-carboxylate
CID 15761716
trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate?
The IUPAC name of ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate (CID 101178655) is ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate?
The canonical SMILES for ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate is CCOC(=O)[C@H]1[C@@H](Oc2ccccc2)C(=O)N1C(=O)c1ccccc1.
What is the InChIKey of ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate?
The InChIKey is FMSRMMFWAXUAJC-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H17NO5/c1-2-24-19(23)15-16(25-14-11-7-4-8-12-14)18(22)20(15)17(21)13-9-5-3-6-10-13/h3-12,15-16H,2H2,1H3/t15-,16-/m1/s1.
What are the key properties of ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate?
ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-1-benzoyl-4-oxo-3-phenoxyazetidine-2-carboxylate is sourced from PubChem (CID 101178655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).