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    CAS 361440-67-7

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    CAS 361440-67-7
    Also known as: 361440-67-7, (1s,3s,5s)-tert-butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate, Tert-butyl (1s,3s,5s)-3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate, (1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-carboxamide, 1523348-12-0, (1s,3s,5s)-2-boc-2-azabicyclo-[3.1.0]hexane-3-carboxamide
    Molecular Formula
    C11H18N2O3
    Molecular Weight
    226.27  g/mol
    InChI Key
    VLAGXRRGXCNITB-FXQIFTODSA-N
    1 2D Structure

    CAS 361440-67-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl (1S,3S,5S)-3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
    2.1.2 InChI
    InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-7-4-6(7)5-8(13)9(12)14/h6-8H,4-5H2,1-3H3,(H2,12,14)/t6-,7-,8-/m0/s1
    2.1.3 InChI Key
    VLAGXRRGXCNITB-FXQIFTODSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1C2CC2CC1C(=O)N
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 361440-67-7

    2. (1s,3s,5s)-tert-butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

    3. Tert-butyl (1s,3s,5s)-3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

    4. (1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-carboxamide

    5. 1523348-12-0

    6. (1s,3s,5s)-2-boc-2-azabicyclo-[3.1.0]hexane-3-carboxamide

    7. Rel-(1s,3s,5s)-tert-butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

    8. 2-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 3-(aminocarbonyl)-, 1,1-dimethylethyl Ester, (1s,3s,5s)-

    9. Schembl3508700

    10. Dtxsid40679951

    11. Mfcd13151933

    12. Zinc66348872

    13. Akos015901870

    14. Ds-1892

    15. Ac-24666

    16. Da-17981

    17. Am20090694

    18. Cs-0030786

    19. J3.509.417b

    20. P19739

    21. 440a677

    22. W-202501

    23. (1s,3s,5s)-2-boc-3-carbamoyl-2-azabicyclo[3.1.0]hexane

    24. (1beta,5beta)-3alpha-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylic Acid Tert-butyl Ester

    25. (1s,3s,5s)-3-(aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 1,1-dimethylethyl Ester

    26. (1s,3s,5s)-3-aminocarbonyl-2-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 1,1-dimethylethyl Ester

    2.3 Create Date
    2011-05-17
    3 Chemical and Physical Properties
    Molecular Weight 226.27 g/mol
    Molecular Formula C11H18N2O3
    XLogP30.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass226.13174244 g/mol
    Monoisotopic Mass226.13174244 g/mol
    Topological Polar Surface Area72.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity335
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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      Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
      Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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            OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
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