Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-


Chemical Name: Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-
CAS Number: 45121-22-0
Product Number: AG00376Z(AGN-PC-0OAHUP)
Synonyms:
MDL No: MFCD00270335
Molecular Formula: C9H17NO4
Molecular Weight: 203.2356

Identification/Properties


Properties
BP:
334.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Solubility:
Soluble in DMF (1mmol in 1ml DMF).
Computed Properties
Molecular Weight:
203.238g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
203.116g/mol
Monoisotopic Mass:
203.116g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
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



(R)-N-Boc-2-aminobutyric acid, also known as Boc-Aib-OH, plays a key role in chemical synthesis as a versatile building block and chiral auxiliary. It is commonly utilized in peptide and protein synthesis to introduce chiral centers and improve the selectivity of reactions. Due to its Boc (tert-butoxycarbonyl) protecting group, (R)-N-Boc-2-aminobutyric acid allows for controlled manipulation of its amino and carboxylic acid functionalities, making it a valuable tool in the construction of complex organic molecules. Additionally, its rigid and bulky structure can influence the conformation of peptides and promote specific interactions, enhancing the stability and bioactivity of the final products.