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    1143516-05-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Aeea-aeea, 1143516-05-5, 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid, 8-amino-3,6-dioxaoctanoic acid dimer, H-adoa-adoa-oh, Mfcd13184942
    Molecular Formula
    C12H24N2O7
    Molecular Weight
    308.33  g/mol
    InChI Key
    YQZVQKYXWPIKIX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid
    2.1.2 InChI
    InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
    2.1.3 InChI Key
    YQZVQKYXWPIKIX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(COCCOCC(=O)NCCOCCOCC(=O)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Aeea-aeea

    2. 1143516-05-5

    3. 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic Acid

    4. 8-amino-3,6-dioxaoctanoic Acid Dimer

    5. H-adoa-adoa-oh

    6. Mfcd13184942

    7. Schembl1257485

    8. Amy3342

    9. Yqzvqkyxwpikix-uhfffaoysa-n

    10. Dtxsid301191445

    11. Ex-a5417

    12. H2n-peg2-nh-peg2-ch2cooh

    13. Zb0899

    14. Akos030213455

    15. Hy-w125504

    16. Ac-32527

    17. Sy251169

    18. Ws-03066

    19. Cs-0183820

    20. P50020

    21. 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanoic Acid

    22. 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oicacid

    23. [2-(2-{2-[2-(2-aminoethoxy)ethoxy]acetyl- Amino}ethoxy)ethoxy]acetic Acid

    24. [2-(2-{2-[2-(2-aminoethoxy)ethoxy]acetyl-amino}ethoxy)ethoxy]acetic Acid

    25. [2-(2-{2-[2-(2-aminoethoxy)ethoxy]acetylamino}ethoxy)ethoxy]acetic Acid

    26. [2-(2-{2-[2-(2-aminoethoxyl)ethoxy]acetylamino}ethoxy)ethoxy]acetic Acid

    27. 2-[2-(2-{2-[2-(2-aminoethoxy)ethoxy]acetamido}ethoxy)ethoxy]acetic Acid

    28. [2-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-acetylamino}-ethoxy)-ethoxy]-acetic Acid

    2.3 Create Date
    2011-05-03
    3 Chemical and Physical Properties
    Molecular Weight 308.33 g/mol
    Molecular Formula C12H24N2O7
    XLogP3-4.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count15
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area129
    Heavy Atom Count21
    Formal Charge0
    Complexity276
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1