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25456-86-4

25456-86-4 | L-Asparagine tert-butyl ester

CAS No: 25456-86-4 Catalog No: AG003535 MDL No:MFCD00190755

Product Description

Catalog Number:
AG003535
Chemical Name:
L-Asparagine tert-butyl ester
CAS Number:
25456-86-4
Molecular Formula:
C8H16N2O3
Molecular Weight:
188.2242
MDL Number:
MFCD00190755
IUPAC Name:
tert-butyl (2S)-2,4-diamino-4-oxobutanoate
InChI:
InChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H2,10,11)/t5-/m0/s1
InChI Key:
VLLGKVRQXXHELH-YFKPBYRVSA-N
SMILES:
N[C@H](C(=O)OC(C)(C)C)CC(=O)N

Properties

Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
188.116g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.227g/mol
Monoisotopic Mass:
188.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

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