Cas no 1231709-25-3 (a-Me-D-Asp(OtBu)-OH)

a-Me-D-Asp(OtBu)-OH structure
a-Me-D-Asp(OtBu)-OH structure
Product Name:a-Me-D-Asp(OtBu)-OH
CAS No:1231709-25-3
MF:C9H17NO4
MW:203.23558306694
CID:1003320
PubChem ID:51885241
Update Time:2025-04-20

a-Me-D-Asp(OtBu)-OH Chemical and Physical Properties

Names and Identifiers

    • (R)-alpha-Methylaspartic acid-4-tert-butyl ester
    • (2R)-2-Amino-2-methyl-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (non-preferred name)
    • (R)-Α-METHYLASPARTIC ACID-4-TERT-BUTYL ESTER
    • H-alpha-me-d-asp(tbu)-oh
    • (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
    • 4-(1,1-Dimethylethyl) hydrogen 2-methyl-D-aspartate
    • D-Asparticacid,2-methyl-,4-(1,1-dimethylethyl)ester
    • AT19322
    • (R)-alpha-Methylaspartic acid-4-(tert-butyl) ester
    • (R)-alpha-MethylAspartic acid -4-tert-butyl ester
    • DTXSID401225273
    • AKOS030212926
    • (R)-alpha-Methylaspartic acid-4-tert-butyl ester, 98% ee
    • 1231709-25-3
    • alpha-Methyl-D-aspartic acid beta-t-butyl ester
    • a-Me-D-Asp(OtBu)-OH
    • Inchi： 1S/C9H17NO4/c1-8(2,3)14-6(11)5-9(4,10)7(12)13/h5,10H2,1-4H3,(H,12,13)/t9-/m1/s1
    • InChI Key： VIQZVYPYYUPDQY-SECBINFHSA-N
    • SMILES： O(C(C[C@@](C(=O)O)(C)N)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 203.11600
  • Monoisotopic Mass: 203.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 244
  • 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
  • Topological Polar Surface Area: 89.6A^2
  • XLogP3: -2.4

Experimental Properties

  • Density: 1.135±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (14 g/l) (25 o C),
  • PSA: 89.62000
  • LogP: 1.22050

a-Me-D-Asp(OtBu)-OH Pricemore >>

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