benzyl 2-oxo-4-phenylazetidine-1-carboxylate

C17H15NO3 — CID 11323488

IUPACbenzyl 2-oxo-4-phenylazetidine-1-carboxylate
SMILESO=C1CC(c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H15NO3/c19-16-11-15(14-9-5-2-6-10-14)18(16)17(20)21-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKeyRHYDBOPAFHSTEP-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.30
Rot. Bonds3

About benzyl 2-oxo-4-phenylazetidine-1-carboxylate

benzyl 2-oxo-4-phenylazetidine-1-carboxylate (PubChem CID 11323488) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl 2-oxo-4-phenylazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-oxo-4-phenylazetidine-1-carboxylate
PubChem CID11323488
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namebenzyl 2-oxo-4-phenylazetidine-1-carboxylate
SMILESO=C1CC(c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H15NO3/c19-16-11-15(14-9-5-2-6-10-14)18(16)17(20)21-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKeyRHYDBOPAFHSTEP-UHFFFAOYSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
benzyl (2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-oxopyrrolidine-1-carboxylate
CID 11024523
(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 102278836
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate
CID 15054177
benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 34177913
benzyl (1S,5R)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 11859502
benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 2802741
benzyl (1S,5S)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 6928656
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717

Frequently Asked Questions

What is the IUPAC name of benzyl 2-oxo-4-phenylazetidine-1-carboxylate?
The IUPAC name of benzyl 2-oxo-4-phenylazetidine-1-carboxylate (CID 11323488) is benzyl 2-oxo-4-phenylazetidine-1-carboxylate.
What is the SMILES notation for benzyl 2-oxo-4-phenylazetidine-1-carboxylate?
The canonical SMILES for benzyl 2-oxo-4-phenylazetidine-1-carboxylate is O=C1CC(c2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-oxo-4-phenylazetidine-1-carboxylate?
The InChIKey is RHYDBOPAFHSTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16-11-15(14-9-5-2-6-10-14)18(16)17(20)21-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2.
What are the key properties of benzyl 2-oxo-4-phenylazetidine-1-carboxylate?
benzyl 2-oxo-4-phenylazetidine-1-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-oxo-4-phenylazetidine-1-carboxylate is sourced from PubChem (CID 11323488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).