Home Carbonyls 3-((tert-Butoxycarbonyl)amino)-3-(3-fluorophenyl)propanoic acid

3-((tert-Butoxycarbonyl)amino)-3-(3-fluorophenyl)propanoic acid

CAS No.:
284493-59-0
Catalog Number:
AG003IRP
Molecular Formula:
C14H18FNO4
Molecular Weight:
283.2954
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Product Description
Catalog Number:
AG003IRP
Chemical Name:
3-((tert-Butoxycarbonyl)amino)-3-(3-fluorophenyl)propanoic acid
CAS Number:
284493-59-0
Molecular Formula:
C14H18FNO4
Molecular Weight:
283.2954
MDL Number:
MFCD02090701
IUPAC Name:
3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
IQPQPXUDXQDVMK-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc(c1)F)NC(=O)OC(C)(C)C
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.122g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.299g/mol
Monoisotopic Mass:
283.122g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties