Home Other Building Blocks 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-FLUOROPHENYL)PROPANOIC ACID

2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-FLUOROPHENYL)PROPANOIC ACID

CAS No.:
87184-23-4
Catalog Number:
AG01DWR8
Molecular Formula:
C14H18FNO4
Molecular Weight:
283.2954
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Product Description
Catalog Number:
AG01DWR8
Chemical Name:
2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-FLUOROPHENYL)PROPANOIC ACID
CAS Number:
87184-23-4
Molecular Formula:
C14H18FNO4
Molecular Weight:
283.2954
MDL Number:
MFCD05865250
IUPAC Name:
3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
FPCCREICRYPTTL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cc1cccc(c1)F
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:
2.6  
Properties