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Home Other Building Blocks benzyl N-(2-oxocyclobutyl)carbamate

benzyl N-(2-oxocyclobutyl)carbamate

CAS No.:
406951-43-7
Catalog Number:
AG01A029
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG01A029
Chemical Name:
benzyl N-(2-oxocyclobutyl)carbamate
CAS Number:
406951-43-7
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD22208485
IUPAC Name:
benzyl N-(2-oxocyclobutyl)carbamate
InChI:
InChI=1S/C12H13NO3/c14-11-7-6-10(11)13-12(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)
InChI Key:
JQPGQKRCEQTGHP-UHFFFAOYSA-N
SMILES:
O=C(NC1CCC1=O)OCc1ccccc1
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
N-(2-oxo-3-oxetanyl)carbamic acid esters as N-acylethanolamine acid amidase inhibitors: synthesis and structure-activity and structure-property relationships. Journal of medicinal chemistry 20120524
Properties