
 2-(2,3-Dicarboxycyclopropyl)glycine

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.0081    0.8398   -0.0617 C   0  0  0  0  0
   -0.9103   -0.3677    0.1183 C   0  0  0  0  0
    0.5880   -0.5548   -0.0245 C   0  0  0  0  0
    1.3799   -0.9834    1.1391 C   0  0  0  0  0
    1.2728   -0.5190    2.2624 O   0  0  0  0  0
    2.2361   -1.9817    0.8599 O   0  0  0  0  0
   -1.7866   -0.9313   -0.9233 C   0  0  0  0  0
   -1.6359   -0.7960   -2.1250 O   0  0  0  0  0
   -2.7786   -1.6873   -0.4167 O   0  0  0  0  0
    0.0823    1.6601   -1.3153 C   0  0  0  0  0
   -0.7356    2.9608   -1.2051 C   0  0  0  0  0
   -1.8759    3.0677   -0.7822 O   0  0  0  0  0
   -0.0677    4.0604   -1.6272 O   0  0  0  0  0
    1.5238    1.9445   -1.5156 N   0  0  0  0  0
    0.1343    1.4606    0.8204 H   0  0  0  0  0
   -1.3178   -0.4830    1.1210 H   0  0  0  0  0
    0.9445   -0.9518   -0.9716 H   0  0  0  0  0
    2.6831   -2.1535    1.7141 H   0  0  0  0  0
   -3.2543   -2.0156   -1.2075 H   0  0  0  0  0
   -0.2691    1.1327   -2.2042 H   0  0  0  0  0
   -0.7025    4.7918   -1.4737 H   0  0  0  0  0
    1.8286    2.5770   -0.7746 H   0  0  0  0  0
    1.5969    2.5127   -2.3632 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 18  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 19  1  0  0  0
 10 14  1  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
 13 21  1  0  0  0
 14 22  1  0  0  0
 14 23  1  0  0  0
M  END

>  <Chemical Name>
2-(2,3-Dicarboxycyclopropyl)glycine

>  <PubChem CID>
4385592

>  <Formula>
C7H9NO6

>  <Molecular Weight>
203.150000

>  <IUPAC Name>
3-[amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid

>  <XlogP>
-4.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1(C(C1C(=O)O)C(=O)O)C(C(=O)O)N

>  <Isomeric SMILES>
C1(C(C1C(=O)O)C(=O)O)C(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)

>  <InChI Key>
MATPZHBYOVDBLI-UHFFFAOYSA-N

