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    CAS 181289-33-8

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    CAS 181289-33-8
    Also known as: 181289-33-8, (r)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid, (r)-(-)-3-carbamoymethyl-5-methylhexanoic acid, (r)-3-(carbamoylmethyl)-5-methylhexanoic acid, R-(-)-3-(carbamoylmethyl)-5-methylhexanoic acid, (r)-(-)-3-(carbamoylmethyl)-5-methylhexanoic acid
    Molecular Formula
    C9H17NO3
    Molecular Weight
    187.24  g/mol
    InChI Key
    NPDKTSLVWGFPQG-SSDOTTSWSA-N
    FDA UNII
    77M6VOR9AZ
    1 2D Structure

    CAS 181289-33-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid
    2.1.2 InChI
    InChI=1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)/t7-/m1/s1
    2.1.3 InChI Key
    NPDKTSLVWGFPQG-SSDOTTSWSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(CC(=O)N)CC(=O)O
    2.1.5 Isomeric SMILES
    CC(C)C[C@H](CC(=O)N)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    77M6VOR9AZ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 181289-33-8

    2. (r)-3-(2-amino-2-oxoethyl)-5-methylhexanoic Acid

    3. (r)-(-)-3-carbamoymethyl-5-methylhexanoic Acid

    4. (r)-3-(carbamoylmethyl)-5-methylhexanoic Acid

    5. R-(-)-3-(carbamoylmethyl)-5-methylhexanoic Acid

    6. (r)-(-)-3-(carbamoylmethyl)-5-methylhexanoic Acid

    7. Isobutyl Glutarmonoamide

    8. 77m6vor9az

    9. Hexanoic Acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (r)-

    10. Hexanoic Acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3r)-

    11. Mfcd09028111

    12. Pigmentyellow55

    13. (3r)-3-(carbamoylmethyl)-5-methylhexanoic Acid

    14. (r)-(-)-3-(carbamoymethyl)-5-methylhexanoic Acid

    15. Pregabalin Impurity Iii

    16. Intermediate Of Pregabalin

    17. Unii-77m6vor9az

    18. Ec 605-923-8

    19. Pci-6

    20. Isobutylglutarmonoamide

    21. Schembl664033

    22. (3r)-3-isobutylglutaramidic Acid

    23. Dtxsid401253937

    24. Amy40419

    25. Bcp09597

    26. Zinc22005637

    27. Akos006291565

    28. Ac-6812

    29. Gs-3374

    30. (r)-3-isobutyl Glutaric Acid Monoamide

    31. (r)-3-carbamoymethyl-5-methylhexanoic Acid

    32. Cs-0030799

    33. Pregabalin Impurity Isobutylglutarmonoamide

    34. A846639

    35. (r)-3-(2-amino-2-oxoethyl)-5-methylhexanoicacid

    36. (r)-(-)-3-(2-amino-2-oxoethyl)-5-methylhexanoic Acid

    2.3.2 Other Synonyms

    1. (r)-3-(2-amino-2-oxoethyl)-5-methylhexanoic Acid

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 187.24 g/mol
    Molecular Formula C9H17NO3
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass187.12084340 g/mol
    Monoisotopic Mass187.12084340 g/mol
    Topological Polar Surface Area80.4 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity189
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                                        Zhejiang Bamboo Pharmaceuticals

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                                          3-(Aminomethyl)-5-methy lhexanoic acid

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                                          130912-52-6
                                          Pregabalin
                                          Zhejiang Bamboo Pharmaceuticals is a new, innovative, green, high-grade pharmaceutical intermediate, API ...
                                          Zhejiang Bamboo Pharmaceuticals is a new, innovative, green, high-grade pharmaceutical intermediate, API and oral solid formulation pharmaceutical manufacturer which was established in 2020. The company is positioned as a modern and regulatory pharmaceutical company with API and formulation drug. The formulation drug are mainly sold to the domestic market, and the goal is to become one of the largest supplier of Chinese "4 + 7" volume procurement in China.
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                                          Zhejiang Bamboo Pharmaceuticals

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                                            Virtual Booth Upload your Marketing & Sales content on your company Virtual Booth, click HERE
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                                            3-Isobutylglutaric acid

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                                            URL Supplier Web Content
                                            75143-89-4
                                            Pregabalin
                                            Zhejiang Bamboo Pharmaceuticals is a new, innovative, green, high-grade pharmaceutical intermediate, API ...
                                            Zhejiang Bamboo Pharmaceuticals is a new, innovative, green, high-grade pharmaceutical intermediate, API and oral solid formulation pharmaceutical manufacturer which was established in 2020. The company is positioned as a modern and regulatory pharmaceutical company with API and formulation drug. The formulation drug are mainly sold to the domestic market, and the goal is to become one of the largest supplier of Chinese "4 + 7" volume procurement in China.
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                                            your Marketing & Sales content

                                            Zhejiang Bamboo Pharmaceuticals

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                                              Virtual Booth Upload your Marketing & Sales content on your company Virtual Booth, click HERE
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                                              Digital Content Digital Content

                                              4-Isobutylpiperidine-2,6-di one

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                                              916982-10-0
                                              Pregabalin
                                              Zhejiang Bamboo Pharmaceuticals is a new, innovative, green, high-grade pharmaceutical intermediate, API ...
                                              Zhejiang Bamboo Pharmaceuticals is a new, innovative, green, high-grade pharmaceutical intermediate, API and oral solid formulation pharmaceutical manufacturer which was established in 2020. The company is positioned as a modern and regulatory pharmaceutical company with API and formulation drug. The formulation drug are mainly sold to the domestic market, and the goal is to become one of the largest supplier of Chinese "4 + 7" volume procurement in China.
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                                              euroapi-m-2024-04-29

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                                              Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

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