Home Carbonyls 4-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}butanoic acid

4-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}butanoic acid

CAS No.:
1697321-54-2
Catalog Number:
AG01DTDU
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
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Product Description
Catalog Number:
AG01DTDU
Chemical Name:
4-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}butanoic acid
CAS Number:
1697321-54-2
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD28651782
IUPAC Name:
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]butanoic acid
InChI:
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-9(8-13)5-4-6-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChI Key:
KSKBTIBSNQGTKO-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)CCCC(=O)O)OC(C)(C)C
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties