Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-


Chemical Name: Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-
CAS Number: 138165-75-0
Product Number: AG001838(AGN-PC-0KKOOX)
Synonyms:
MDL No: MFCD01076259
Molecular Formula: C12H23NO4
Molecular Weight: 245.3153

Identification/Properties


Computed Properties
Molecular Weight:
245.319g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
245.163g/mol
Monoisotopic Mass:
245.163g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
268
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#:
-
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The application of 3-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid in chemical synthesis lies in its role as a versatile building block for the creation of various organic compounds. This compound is commonly used as a protecting group for amino acids during peptide synthesis, allowing for selective deprotection and manipulation of the amino acid sequence. Additionally, the presence of the tert-butoxycarbonyl (Boc) group provides steric hindrance, aiding in the control of regioselectivity and the prevention of unwanted side reactions. Overall, 3-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid plays a crucial role in the precise and efficient synthesis of complex organic molecules in chemical research and development.