Home Aminos Boc-(R)-3-amino-3-(3-cyano-phenyl)-propionic acid

Boc-(R)-3-amino-3-(3-cyano-phenyl)-propionic acid

CAS No.:
501015-21-0
Catalog Number:
AG0032FB
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$182
- +
5g
97%
In Stock USA
United States
$650
- +
10g
97%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG0032FB
Chemical Name:
Boc-(R)-3-amino-3-(3-cyano-phenyl)-propionic acid
CAS Number:
501015-21-0
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
MDL Number:
MFCD03427967
IUPAC Name:
(3R)-3-(3-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(8-13(18)19)11-6-4-5-10(7-11)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChI Key:
QSPUAVCHVGCBGN-GFCCVEGCSA-N
SMILES:
N#Cc1cccc(c1)[C@H](NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties