benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate

C18H16N2O4 — CID 146258907

IUPACbenzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate
SMILESO=NC(=O)C1(c2ccccc2)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H16N2O4/c21-16(19-23)18(15-9-5-2-6-10-15)12-20(13-18)17(22)24-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyWMWKCNKSORRMJF-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.87
Rot. Bonds4

About benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate

benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate (PubChem CID 146258907) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate
PubChem CID146258907
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namebenzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate
SMILESO=NC(=O)C1(c2ccccc2)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H16N2O4/c21-16(19-23)18(15-9-5-2-6-10-15)12-20(13-18)17(22)24-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyWMWKCNKSORRMJF-UHFFFAOYSA-N
XLogP2.87
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 118998171
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
benzyl 3-azido-3-phenylazetidine-1-carboxylate
CID 134985585
1-O-benzyl 3-O-ethyl (3R)-3-phenylpyrrolidine-1,3-dicarboxylate
CID 125479602
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202
3-(hydroxymethyl)-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 68530600
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 3-fluoro-3-formylazetidine-1-carboxylate
CID 105498785
benzyl 3-methyl-3-methylsulfonyloxyazetidine-1-carboxylate
CID 71304130
benzyl 3-ethoxy-3-methylazetidine-1-carboxylate
CID 130804628

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate?
The IUPAC name of benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate (CID 146258907) is benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate is O=NC(=O)C1(c2ccccc2)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate?
The InChIKey is WMWKCNKSORRMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-16(19-23)18(15-9-5-2-6-10-15)12-20(13-18)17(22)24-11-14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate?
benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(oxocarbamoyl)-3-phenylazetidine-1-carboxylate is sourced from PubChem (CID 146258907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).