Home Carbonyls (S)-ethyl 2-(tert-butoxycarbonylaMino)-3-(4-nitrophenyl)propanoate

(S)-ethyl 2-(tert-butoxycarbonylaMino)-3-(4-nitrophenyl)propanoate

CAS No.:
67630-00-6
Catalog Number:
AG00FBXR
Molecular Formula:
C16H22N2O6
Molecular Weight:
338.3557
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Product Description
Catalog Number:
AG00FBXR
Chemical Name:
(S)-ethyl 2-(tert-butoxycarbonylaMino)-3-(4-nitrophenyl)propanoate
CAS Number:
67630-00-6
Molecular Formula:
C16H22N2O6
Molecular Weight:
338.3557
MDL Number:
MFCD18207035
IUPAC Name:
ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate
InChI:
InChI=1S/C16H22N2O6/c1-5-23-14(19)13(17-15(20)24-16(2,3)4)10-11-6-8-12(9-7-11)18(21)22/h6-9,13H,5,10H2,1-4H3,(H,17,20)/t13-/m0/s1
InChI Key:
KVEDDVRFINSSND-ZDUSSCGKSA-N
SMILES:
CCOC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Properties
Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
338.148g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
338.36g/mol
Monoisotopic Mass:
338.148g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties