Home Aminos (S)-Methyl 2-boc-amino-3-(4-iodophenyl)propionate

(S)-Methyl 2-boc-amino-3-(4-iodophenyl)propionate

CAS No.:
113850-76-3
Catalog Number:
AG0009WU
Molecular Formula:
C15H20INO4
Molecular Weight:
405.2281
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$200
- +
5g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0009WU
Chemical Name:
(S)-Methyl 2-boc-amino-3-(4-iodophenyl)propionate
CAS Number:
113850-76-3
Molecular Formula:
C15H20INO4
Molecular Weight:
405.2281
MDL Number:
MFCD07366813
IUPAC Name:
methyl (2S)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C15H20INO4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-5-7-11(16)8-6-10/h5-8,12H,9H2,1-4H3,(H,17,19)/t12-/m0/s1
InChI Key:
HNCUXLSIVYDGBW-LBPRGKRZSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)I)NC(=O)OC(C)(C)C
Properties
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
405.044g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
405.232g/mol
Monoisotopic Mass:
405.044g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties