6H-Pyrrolo[3,4-b]pyrazine-6-acetic acid, 5,7-dihydro-α-(1-methylethyl)-5,7-dioxo-, (S)-

CAS Registry Number®

126310-29-0
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CAS Name

6H-Pyrrolo[3,4-b]pyrazine-6-acetic acid, 5,7-dihydro-α-(1-methylethyl)-5,7-dioxo-, (S)-

Molecular Formula

C11H11N3O4

Molecular Mass

249.22

Cite this Page

6H-Pyrrolo[3,4-b]pyrazine-6-acetic acid, 5,7-dihydro-α-(1-methylethyl)-5,7-dioxo-, (S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126310-29-0 (retrieved 2024-08-17) (CAS RN: 126310-29-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165-167 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C11H11N3O4/c1-5(2)8(11(17)18)14-9(15)6-7(10(14)16)13-4-3-12-6/h3-5,8H,1-2H3,(H,17,18)/t8-/m0/s1

InChIKey

InChIKey=QNQXGNSYZLEHQC-QMMMGPOBSA-N

SMILES

[C@H]([C@H](C)C)(C(O)=O)N1C(=O)C=2C(C1=O)=NC=CN2

Canonical SMILES

O=C(O)C(N1C(=O)C2=NC=CN=C2C1=O)C(C)C

Other Names for this Substance

  • 6H-Pyrrolo[3,4-b]pyrazine-6-acetic acid, 5,7-dihydro-α-(1-methylethyl)-5,7-dioxo-, (S)-
  • (2S)-2-(5,7-Dioxopyrrolo[3,4-b]pyrazin-6-yl)-3-methylbutanoic acid