Home Carbonyls (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid

(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid

CAS No.:
216312-53-7
Catalog Number:
AG003CK3
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$164
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Product Description
Catalog Number:
AG003CK3
Chemical Name:
(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-cyanophenyl)propanoic acid
CAS Number:
216312-53-7
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
MDL Number:
MFCD01860623
IUPAC Name:
(2S)-3-(2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-6-4-5-7-11(10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChI Key:
AJHPGXZOIAYYDW-LBPRGKRZSA-N
SMILES:
N#Cc1ccccc1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
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:
2.2  
Properties