Home Carbonyls Alanine, N-(methoxycarbonyl)-2-methyl- (9CI)

Alanine, N-(methoxycarbonyl)-2-methyl- (9CI)

CAS No.:
91826-96-9
Catalog Number:
AG00H518
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
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Product Description
Catalog Number:
AG00H518
Chemical Name:
Alanine, N-(methoxycarbonyl)-2-methyl- (9CI)
CAS Number:
91826-96-9
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
MDL Number:
MFCD14608280
IUPAC Name:
2-(methoxycarbonylamino)-2-methylpropanoic acid
InChI:
InChI=1S/C6H11NO4/c1-6(2,4(8)9)7-5(10)11-3/h1-3H3,(H,7,10)(H,8,9)
InChI Key:
GQSBWCLCEYQKPE-UHFFFAOYSA-N
SMILES:
COC(=O)NC(C(=O)O)(C)C
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
161.157g/mol
Monoisotopic Mass:
161.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties