
 CHEMBL297150

 24 24  0  0  0  0  0  0  0  0999 V2000
   -0.5655   -0.9663    0.2143 C   0  0  0  0  0
   -0.9652    0.4944    0.4285 C   0  0  0  0  0
    0.0975    1.2948   -0.2418 N   0  0  0  0  0
    1.3472    0.5411    0.0438 C   0  0  0  0  0
    0.9717   -0.9531    0.1377 C   0  0  0  0  0
    1.5944   -1.5976    1.3898 C   0  0  0  0  0
    2.3628   -1.0906    2.1907 O   0  0  0  0  0
    1.2468   -2.9014    1.5268 O   0  0  0  0  0
    1.4427   -1.7138   -1.0537 N   0  0  0  0  0
   -0.1395    1.3045   -1.6854 N   0  0  0  0  0
   -1.0275    0.8562    1.9139 C   0  0  0  0  0
   -0.8198    0.1057    2.8550 O   0  0  0  0  0
   -1.3817    2.1396    2.1384 O   0  0  0  0  0
   -0.9528   -1.6281    0.9963 H   0  0  0  0  0
   -1.0006   -1.3126   -0.7329 H   0  0  0  0  0
   -1.9653    0.6879    0.0197 H   0  0  0  0  0
    2.1280    0.7398   -0.7022 H   0  0  0  0  0
    1.7477    0.9228    0.9908 H   0  0  0  0  0
    1.7420   -3.1806    2.3250 H   0  0  0  0  0
    0.9941   -1.3096   -1.8779 H   0  0  0  0  0
    1.0961   -2.6711   -0.9727 H   0  0  0  0  0
    0.6257    1.8001   -2.1568 H   0  0  0  0  0
   -0.9621    1.8807   -1.8944 H   0  0  0  0  0
   -1.3438    2.2347    3.1123 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 19  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL297150

>  <PubChem CID>
10330132

>  <Formula>
C6H11N3O4

>  <Molecular Weight>
189.171000

>  <IUPAC Name>
(2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid

>  <XlogP>
-6.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C(N(CC1(C(=O)O)N)N)C(=O)O

>  <Isomeric SMILES>
C1[C@@H](N(C[C@]1(C(=O)O)N)N)C(=O)O

>  <InChI Std. ID>
InChI=1S/C6H11N3O4/c7-6(5(12)13)1-3(4(10)11)9(8)2-6/h3H,1-2,7-8H2,(H,10,11)(H,12,13)/t3-,6-/m1/s1

>  <InChI Key>
MJUZIVFENBZUFH-AWFVSMACSA-N

