Home Carbonyls Leucine, N-(methoxycarbonyl)-

Leucine, N-(methoxycarbonyl)-

CAS No.:
117919-56-9
Catalog Number:
AG00776H
Molecular Formula:
C8H15NO4
Molecular Weight:
189.2090
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Product Description
Catalog Number:
AG00776H
Chemical Name:
Leucine, N-(methoxycarbonyl)-
CAS Number:
117919-56-9
Molecular Formula:
C8H15NO4
Molecular Weight:
189.2090
MDL Number:
MFCD11128984
IUPAC Name:
2-(methoxycarbonylamino)-4-methylpentanoic acid
InChI:
InChI=1S/C8H15NO4/c1-5(2)4-6(7(10)11)9-8(12)13-3/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11)
InChI Key:
NPRGOLCTGVFFGS-UHFFFAOYSA-N
SMILES:
COC(=O)N[C@H](C(=O)O)CC(C)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.211g/mol
Monoisotopic Mass:
189.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties