Home Carbonyls 2-{1-[(tert-butoxy)carbonyl]azetidin-3-ylidene}propanoic acid

2-{1-[(tert-butoxy)carbonyl]azetidin-3-ylidene}propanoic acid

CAS No.:
1593231-60-7
Catalog Number:
AG01AD0L
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
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Product Description
Catalog Number:
AG01AD0L
Chemical Name:
2-{1-[(tert-butoxy)carbonyl]azetidin-3-ylidene}propanoic acid
CAS Number:
1593231-60-7
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD26936208
IUPAC Name:
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-ylidene]propanoic acid
InChI:
InChI=1S/C11H17NO4/c1-7(9(13)14)8-5-12(6-8)10(15)16-11(2,3)4/h5-6H2,1-4H3,(H,13,14)
InChI Key:
CRYJHDDREVCUTG-UHFFFAOYSA-N
SMILES:
O=C(N1CC(=C(C(=O)O)C)C1)OC(C)(C)C
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties