
 CHEMBL168279

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.5798    0.9381    0.1438 C   0  0  0  0  0
    0.5836    2.0985   -0.0534 C   0  0  0  0  0
   -0.7506    1.5305   -0.5425 C   0  0  0  0  0
   -0.9345    0.4542   -1.0871 O   0  0  0  0  0
   -1.7805    2.3917   -0.3723 O   0  0  0  0  0
    0.3862    2.9258    1.1647 N   0  0  0  0  0
    2.9091    1.3473    0.5753 N   0  0  0  0  0
    3.1529    1.8169    1.8655 C   0  0  0  0  0
    2.5951    1.4518    2.8904 O   0  0  0  0  0
    4.0741    2.8050    1.7919 N   0  0  0  0  0
    4.1862    3.1999    0.5122 C   0  0  0  0  0
    4.7531    4.2046    0.1163 O   0  0  0  0  0
    3.5183    2.3110   -0.2904 O   0  0  0  0  0
    1.1924    0.2282    0.8855 H   0  0  0  0  0
    1.7114    0.3921   -0.7975 H   0  0  0  0  0
    0.9484    2.7627   -0.8452 H   0  0  0  0  0
   -2.5480    1.9348   -0.7786 H   0  0  0  0  0
    0.1744    2.3179    1.9598 H   0  0  0  0  0
   -0.4598    3.4867    1.0201 H   0  0  0  0  0
    4.3273    3.3850    2.5700 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>
CHEMBL168279

>  <PubChem CID>
6603978

>  <Formula>
C5H7N3O5

>  <Molecular Weight>
189.127000

>  <IUPAC Name>
(2R)-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@H](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)/t2-/m1/s1

>  <InChI Key>
ASNFTDCKZKHJSW-UWTATZPHSA-N

