Cas no 136378-33-1 ((1S,2S)-1-[(Tert-Butoxycarbonyl)amino]-2-methylcyclopropane-1-carboxylic acid)

(1S,2S)-1-[(Tert-Butoxycarbonyl)amino]-2-methylcyclopropane-1-carboxylic acid structure
136378-33-1 structure
Product Name:(1S,2S)-1-[(Tert-Butoxycarbonyl)amino]-2-methylcyclopropane-1-carboxylic acid
CAS No:136378-33-1
MF:C10H17NO4
MW:215.24628329277
CID:901160
Update Time:2023-08-02

(1S,2S)-1-[(Tert-Butoxycarbonyl)amino]-2-methylcyclopropane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (1S,2S)-N-BOC-1-Amino-2-methylcyclopropanecarboxylic acid
    • (1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
    • (1S,2S)-1-[(tert-Butoxycarbonyl)amino]-2-methylcyclopropane-1-carboxylic acid
    • (1S,2S)-1-[(Tert-Butoxycarbonyl)amino]-2-methylcyclopropane-1-carboxylic acid
    • Inchi: 1S/C10H17NO4/c1-6-5-10(6,7(12)13)11-8(14)15-9(2,3)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13)/t6-,10-/m0/s1
    • InChI Key: RDFVWJDTLMKIGI-WKEGUHRASA-N
    • SMILES: OC([C@@]1(C[C@@H]1C)NC(=O)OC(C)(C)C)=O

Computed Properties

  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 294
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 75.6
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.3
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