DL-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-


Chemical Name: DL-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CAS Number: 13734-31-1
Product Number: AG0038AP(AGN-PC-00UMJN)
Synonyms:
MDL No:
Molecular Formula: C9H17NO4
Molecular Weight: 203.2356

Identification/Properties


Computed Properties
Molecular Weight:
203.238g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
203.116g/mol
Monoisotopic Mass:
203.116g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
232
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



N-Boc-N-methyl-DL-alanine, also known as Boc-Me-Ala-OH, is a versatile organic compound widely used in chemical synthesis as a key building block for the preparation of various pharmaceuticals, peptides, and other organic molecules. Its strategically placed Boc (tert-butoxycarbonyl) protecting group allows for selective deprotection under mild acidic conditions, making it a valuable tool in organic chemistry for controlling reactivity and regioselectivity during multi-step syntheses. This compound is particularly valuable in the synthesis of complex peptides and peptidomimetics, where the N-Boc-N-methyl-DL-alanine unit can serve as a critical component in establishing the desired sequence and stereochemistry of the final product. Additionally, the presence of the N-methyl group provides enhanced stability and conformational control to the resulting molecules, making N-Boc-N-methyl-DL-alanine an essential reagent in the development of bioactive compounds with improved pharmacokinetic properties.