Home Aminos Boc-(s)-3-amino-3-(3-trifluoromethyl-phenyl)-propionic acid

Boc-(s)-3-amino-3-(3-trifluoromethyl-phenyl)-propionic acid

CAS No.:
500770-78-5
Catalog Number:
AG003CN3
Molecular Formula:
C15H18F3NO4
Molecular Weight:
333.3029
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 98% (HPLC)
1 week
United States
$104
- +
1g
≥ 98% (HPLC)
1 week
United States
$177
- +
Product Description
Catalog Number:
AG003CN3
Chemical Name:
Boc-(s)-3-amino-3-(3-trifluoromethyl-phenyl)-propionic acid
CAS Number:
500770-78-5
Molecular Formula:
C15H18F3NO4
Molecular Weight:
333.3029
MDL Number:
MFCD03427926
IUPAC Name:
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(8-12(20)21)9-5-4-6-10(7-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChI Key:
UPKLBXIBSSZUID-NSHDSACASA-N
SMILES:
OC(=O)C[C@@H](c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
333.119g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
333.307g/mol
Monoisotopic Mass:
333.119g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties