Cas no 112695-98-4 (Boc-beta-t-butyl-d-alanine)

Boc-beta-t-butyl-d-alanine structure
Boc-beta-t-butyl-d-alanine structure
Product Name:Boc-beta-t-butyl-d-alanine
CAS No:112695-98-4
MF:C12H23NO4
MW:245.315324068069
MDL:MFCD00798621
CID:137759
PubChem ID:7021114
Update Time:2025-04-19

Boc-beta-t-butyl-d-alanine Chemical and Physical Properties

Names and Identifiers

    • D-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-4-methyl-
    • BOC-BETA-TBU-D-ALA-OH
    • Boc-beta-t-butyl-D-alanine
    • Boc-b-tBu-D-Ala-OH
    • BOC-D-ALA (t b u)-OH
    • Boc-D-neopentylglycine
    • Boc-D-NptGly-OH
    • Boc-β-tBu-D-Ala-OH
    • BOC-Β-T-BUTYL-D-ALANINE
    • (2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
    • BOC-D-LEU(ME)-OH
    • Boc-D-β-tBuAla-OH
    • Boc-D-b-tBuAla-OH
    • BOC-D-BETA-TBUALA-OH
    • BOC-T-BUTYL-D-ALANINE
    • BOC-D-NEOPENTYLGLY-OH
    • BOC-D-ALA(TBU)-OH
    • Boc--tBu-D-Ala-OH
    • (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid
    • Boc-D-Neopentylgly-OH;Boc--Me-D-Leu-OH;Boc-D-Tba-OH
    • Boc-D-t-butyl-alanine
    • Boc-D-tert-butyl-alanine
    • Boc-b-tert-butyl-D-alanine
    • D-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-4-methyl-
    • PUQVQDMFCAGQQB-MRVPVSSYSA-N
    • (R)-2-tert-Butoxycarbonylamino-4,4-dimethylpentanoic acid
    • SC-8
    • A894534
    • CS-13446
    • N-(tert-butoxycarbonyl)-4-methyl-D-leucine
    • SCHEMBL1360500
    • HY-79404A
    • AKOS015836516
    • N2-(tert-Butoxycarbonyl)-3-tert-butyl-D-alanine
    • N-tert-Butoxycarbonyl-3-tert-butyl-D-alanine
    • CS-M3461
    • EN300-6472514
    • (2R)-2-{[(tert-butoxy)carbonyl]amino}-4,4-dimethylpentanoic acid
    • N-(tert-Butoxycarbonyl)-3-tert-butyl-D-alanine
    • (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoicacid
    • 112695-98-4
    • DTXSID40427333
    • (2R)-2-[(tert-butoxycarbonyl)amino]-4,4-dimethylpentanoic acid
    • DA-71625
    • Boc-beta-t-butyl-d-alanine
    • MDL： MFCD00798621
    • Inchi： 1S/C12H23NO4/c1-11(2,3)7-8(9(14)15)13-10(16)17-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m1/s1
    • InChI Key： PUQVQDMFCAGQQB-MRVPVSSYSA-N
    • SMILES： O(C(N[C@@H](C(=O)O)CC(C)(C)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 245.16300
  • Monoisotopic Mass: 245.16270821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 286
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.6
  • Topological Polar Surface Area: 75.6

Experimental Properties

  • Density: 1.048±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 100-104°C
  • Solubility: Very slightly soluble (0.91 g/l) (25 o C),
  • PSA: 75.63000
  • LogP: 2.79140
  • Specific Rotation: +16±2?o (c=1 in MeOH)

Boc-beta-t-butyl-d-alanine Security Information

Boc-beta-t-butyl-d-alanine Pricemore >>

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