Butanoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-


Chemical Name: Butanoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-
CAS Number: 42918-86-5
Product Number: AG00BYB4(AGN-PC-0OAD58)
Synonyms:
MDL No:
Molecular Formula: C12H15NO4
Molecular Weight: 237.2518

Identification/Properties


Computed Properties
Molecular Weight:
237.255g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
237.1g/mol
Monoisotopic Mass:
237.1g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
261
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

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NMR Spectrum


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Chemical Structure



(S)-2-(Benzyloxycarbonylamino)butyric acid, also known as Z-Boc-β-alanine, is a versatile compound commonly used in chemical synthesis. This compound serves as a key building block in the preparation of various pharmaceuticals, peptidomimetics, and bioactive molecules. In chemical synthesis, (S)-2-(Benzyloxycarbonylamino)butyric acid is frequently employed as a protecting group for amino acids in peptide synthesis. By temporarily masking the amino group with the benzyloxycarbonyl (Z) group, this compound helps to prevent undesired reactions and facilitates selective functional group transformations. This protection strategy enables chemists to control the sequence of reactions and ensure the desired outcomes in the synthesis of complex peptides and peptidomimetics.Furthermore, (S)-2-(Benzyloxycarbonylamino)butyric acid can also be used as a chiral building block in the construction of biologically active compounds. Its chirality can impart specific stereochemical properties to the target molecules, leading to enhanced biological activity or selectivity. This compound's versatility and utility in chemical synthesis make it an indispensable tool for the preparation of diverse organic molecules with pharmaceutical and biochemical significance.