Home Carbonyls DL-Valine, N-(ethoxycarbonyl)-

DL-Valine, N-(ethoxycarbonyl)-

CAS No.:
111421-95-5
Catalog Number:
AG0082AS
Molecular Formula:
C8H15NO4
Molecular Weight:
189.2090
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Product Description
Catalog Number:
AG0082AS
Chemical Name:
DL-Valine, N-(ethoxycarbonyl)-
CAS Number:
111421-95-5
Molecular Formula:
C8H15NO4
Molecular Weight:
189.2090
MDL Number:
MFCD09807004
IUPAC Name:
2-(ethoxycarbonylamino)-3-methylbutanoic acid
InChI:
InChI=1S/C8H15NO4/c1-4-13-8(12)9-6(5(2)3)7(10)11/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11)
InChI Key:
ZAVWSNSSAROCIB-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC(C(=O)O)C(C)C
NSC Number:
33498
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