Please Wait
Applying Filters...
menu
    • menu
    European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

    Virtual Booth

    Contact Supplier

    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Transo-Pharm GmbH works globally to supply Active Pharmaceutical Ingredients adhering to the highest quality & GMP standards.

    Virtual Booth

    Contact Supplier

    TAPI, a leading global supplier of APIs, provides over 350 products and customized CDMO solutions for every stage of development.

    Virtual Booth

    Contact Supplier

    AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-10-20

    Virtual Booth

    An Enquiry

    Menu

    CAS 1171080-45-7

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 1171080-45-7, Benzyl (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid, Benzyl (2s,5r)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate, Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate ethanedioate, Schembl15309424, Ex-a2293b
    Molecular Formula
    C22H26N2O7
    Molecular Weight
    430.5  g/mol
    InChI Key
    AMOSSTKBTVKFNW-VOMIJIAVSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
    2.1.2 InChI
    InChI=1S/C20H24N2O3.C2H2O4/c23-20(24-14-16-7-3-1-4-8-16)19-12-11-18(13-21-19)22-25-15-17-9-5-2-6-10-17;3-1(4)2(5)6/h1-10,18-19,21-22H,11-15H2;(H,3,4)(H,5,6)/t18-,19+;/m1./s1
    2.1.3 InChI Key
    AMOSSTKBTVKFNW-VOMIJIAVSA-N
    2.1.4 Canonical SMILES
    C1CC(NCC1NOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    C1C[C@H](NC[C@@H]1NOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1171080-45-7

    2. Benzyl (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic Acid

    3. Benzyl (2s,5r)-5-[(benzyloxy)amino]piperidine-2-carboxylate Ethanedioate

    4. Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate Ethanedioate

    5. Schembl15309424

    6. Ex-a2293b

    7. Amy19463

    8. Cs-m3164

    9. Wwb08045

    10. Mfcd29472311

    11. At10876

    12. 2-piperidinecarboxylic Acid, 5-[(phenylmethoxy)amino]-, Phenylmethyl Ester, (2s,5r)-, Ethanedioate (1:1)

    13. Ds-19729

    14. (2s,5r)-benzyl5-((benzyloxy)amino)piperidine-2-carboxylateoxalate

    15. (2s,5r)-benzyl 5-((benzyloxy)amino)piperidine-2-carboxylate Oxalate Ee

    16. Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate Oxalate

    2.3 Create Date
    2012-12-03
    3 Chemical and Physical Properties
    Molecular Weight 430.5 g/mol
    Molecular Formula C22H26N2O7
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count9
    Exact Mass430.17400117 g/mol
    Monoisotopic Mass430.17400117 g/mol
    Topological Polar Surface Area134 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity464
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2