
 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.5970    1.5538    0.3610 C   0  0  0  0  0
    0.3544    2.4184    0.1183 C   0  0  0  0  0
    0.6835    3.5144   -0.8936 C   0  0  0  0  0
    0.5325    3.4404   -2.1043 O   0  0  0  0  0
    1.1598    4.6404   -0.3307 O   0  0  0  0  0
   -0.7642    1.5868   -0.4053 N   0  0  0  0  0
    2.6764    2.2613    1.0326 N   0  0  0  0  0
    3.9215    1.6410    1.1845 C   0  0  0  0  0
    4.4408    0.8541    0.4084 O   0  0  0  0  0
    4.4273    1.9754    2.3924 N   0  0  0  0  0
    3.4287    2.4468    3.1560 C   0  0  0  0  0
    3.4610    2.6018    4.3648 O   0  0  0  0  0
    2.3285    2.6588    2.3676 O   0  0  0  0  0
    1.3453    0.6810    0.9775 H   0  0  0  0  0
    1.9917    1.1722   -0.5894 H   0  0  0  0  0
    0.0070    2.8873    1.0454 H   0  0  0  0  0
    1.3094    5.2503   -1.0838 H   0  0  0  0  0
   -0.5228    1.2960   -1.3584 H   0  0  0  0  0
   -1.5815    2.1881   -0.5286 H   0  0  0  0  0
    5.2549    1.5582    2.7789 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 17  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  7 13  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 20  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
M  END

>  <Chemical Name>
2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

>  <PubChem CID>
1209

>  <Formula>
C5H7N3O5

>  <Molecular Weight>
189.127000

>  <IUPAC Name>
2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

>  <XlogP>
-3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C(C(C(=O)O)N)N1C(=O)NC(=O)O1

>  <Isomeric SMILES>
C(C(C(=O)O)N)N1C(=O)NC(=O)O1

>  <InChI Std. ID>
InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)

>  <InChI Key>
ASNFTDCKZKHJSW-UHFFFAOYSA-N

