3-Azabicyclo[3.1.0]hexane-2,6-dicarboxylic acid, (1R,2S,5S,6S)-


Chemical Name: 3-Azabicyclo[3.1.0]hexane-2,6-dicarboxylic acid, (1R,2S,5S,6S)-
CAS Number: 159262-32-5
Product Number: AG00AOP5(AGN-PC-0O4JRE)
Synonyms:
MDL No:
Molecular Formula: C7H9NO4
Molecular Weight: 171.1507

Identification/Properties


Computed Properties
Molecular Weight:
171.152g/mol
XLogP3:
-3.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
171.053g/mol
Monoisotopic Mass:
171.053g/mol
Topological Polar Surface Area:
86.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
252
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



MPDC, or 2-Methyl-2-pentenoic acid, is a versatile compound widely used in chemical synthesis. Its unique structure and reactivity make it a valuable building block in organic chemistry, particularly in the formation of complex molecules.One of the key applications of MPDC in chemical synthesis is its role as a precursor in the synthesis of various pharmaceuticals and agrochemicals. By utilizing MPDC as a starting material, chemists can access a range of functionalized compounds with diverse biological activities. Additionally, MPDC can serve as a chiral building block, enabling the synthesis of enantiomerically pure products of pharmaceutical interest.Furthermore, MPDC can participate in various chemical reactions such as condensation, esterification, and hydrogenation, making it a versatile reagent in organic synthesis. Its ability to undergo selective transformations allows for the efficient construction of intricate molecular frameworks.Overall, MPDC plays a crucial role in advancing the field of chemical synthesis by providing chemists with a valuable tool for the preparation of diverse and complex molecules with applications in the pharmaceutical, agricultural, and materials science industries.