Cas no 357610-29-8 (Propanoic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-)

Propanoic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, is a specialized organic compound featuring a protected amino group in the form of a bis-Boc derivative. The tert-butoxycarbonyl (Boc) groups enhance stability, making it suitable for peptide synthesis and other applications requiring controlled deprotection. The methyl substitution at the 2-position introduces steric effects, influencing reactivity and selectivity in synthetic pathways. This compound is particularly valuable in medicinal chemistry and intermediate synthesis, where its protective groups allow for precise manipulation under mild conditions. Its structural features ensure compatibility with a range of reagents, offering versatility in multi-step organic transformations.
Propanoic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl- structure
357610-29-8 structure
Product Name:Propanoic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-
CAS No:357610-29-8
MF:C14H25NO6
MW:303.351404905319
CID:1473475
PubChem ID:85790450
Update Time:2025-05-27

Propanoic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-
    • 2-methyl-3-(di-tert-butyloxycarbonylamino)propionic acid
    • N-bis-Boc-α-methyl-β-alanine
    • 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoic acid
    • 3-N-Di-boc-2-methyl-propionic acid
    • SCHEMBL7997176
    • AS-39228
    • 357610-29-8
    • AKOS037643877
    • MFCD24475052
    • Inchi： 1S/C14H25NO6/c1-9(10(16)17)8-15(11(18)20-13(2,3)4)12(19)21-14(5,6)7/h9H,8H2,1-7H3,(H,16,17)
    • InChI Key： YDPOEKBZTAUKGM-UHFFFAOYSA-N
    • SMILES： O(C(N(C(=O)OC(C)(C)C)CC(C(=O)O)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 303.16800
  • Monoisotopic Mass: 303.16818752g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 377
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 93.1?2

Experimental Properties

  • PSA: 93.14000
  • LogP: 2.87930

Propanoic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl- Pricemore >>

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