
 CTK0H1302

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.1410    1.1019   -0.1834 C   0  0  0  0  0
   -0.7929   -0.0571    0.0415 C   0  0  0  0  0
    0.7019   -0.2423    0.2288 C   0  0  0  0  0
    1.5165   -1.0214   -0.7625 C   0  0  0  0  0
    1.3122   -2.1886   -1.0582 O   0  0  0  0  0
    2.5603   -0.3300   -1.2638 O   0  0  0  0  0
    1.1899   -0.3753    1.6240 N   0  0  0  0  0
   -1.5461   -0.6445   -1.1185 C   0  0  0  0  0
   -2.2114   -1.9586   -0.7934 C   0  0  0  0  0
   -2.2594   -2.5226    0.2867 O   0  0  0  0  0
   -2.8405   -2.4837   -1.8654 O   0  0  0  0  0
    0.3176    1.4422   -1.1976 H   0  0  0  0  0
    0.1400    1.9010    0.5499 H   0  0  0  0  0
   -1.4109   -0.0156    0.9342 H   0  0  0  0  0
    3.0026   -0.9701   -1.8580 H   0  0  0  0  0
    2.1814   -0.1374    1.6641 H   0  0  0  0  0
    1.1234   -1.3542    1.9096 H   0  0  0  0  0
   -0.8914   -0.7935   -1.9837 H   0  0  0  0  0
   -2.3348    0.0596   -1.4073 H   0  0  0  0  0
   -3.2324   -3.3135   -1.5208 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2 14  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 15  1  0  0  0
  7 16  1  0  0  0
  7 17  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 20  1  0  0  0
M  END

>  <Chemical Name>
CTK0H1302

>  <PubChem CID>
11768848

>  <Formula>
C6H9NO4

>  <Molecular Weight>
159.141000

>  <IUPAC Name>
(1S,2S)-1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid

>  <XlogP>
-3.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C6H9NO4/c7-6(5(10)11)2-3(6)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6+/m1/s1

>  <InChI Key>
HMHPAFJEDLYRGO-CVYQJGLWSA-N

