
 CHEMBL3347670

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.1392    1.5253    0.3565 C   0  0  0  0  0
   -0.4567    0.2018   -0.0418 C   0  0  0  0  0
    0.8773    0.2434    0.6849 C   0  0  0  0  0
    2.1904   -0.0228   -0.0161 C   0  0  0  0  0
    2.5009    0.4054   -1.1169 O   0  0  0  0  0
    3.0561   -0.7704    0.7081 O   0  0  0  0  0
    0.8486   -0.1951    2.1123 N   0  0  0  0  0
   -0.6215   -0.1323   -1.4974 C   0  0  0  0  0
   -1.0116   -1.5685   -1.7307 C   0  0  0  0  0
   -0.8493   -2.5091   -0.9724 O   0  0  0  0  0
   -1.5777   -1.7527   -2.9406 O   0  0  0  0  0
    0.5428    2.1667   -0.4195 H   0  0  0  0  0
   -0.3334    2.0671    1.1680 H   0  0  0  0  0
   -1.3236   -0.1252    0.5277 H   0  0  0  0  0
    3.8428   -0.8306    0.1283 H   0  0  0  0  0
    1.7052    0.1279    2.5665 H   0  0  0  0  0
    0.9376   -1.2142    2.1283 H   0  0  0  0  0
    0.2803    0.0695   -2.0813 H   0  0  0  0  0
   -1.4236    0.5024   -1.8929 H   0  0  0  0  0
   -1.7904   -2.7110   -2.9626 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>
CHEMBL3347670

>  <PubChem CID>
45082292

>  <Formula>
C6H9NO4

>  <Molecular Weight>
159.141000

>  <IUPAC Name>
(1S,2R)-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-/m0/s1

>  <InChI Key>
HMHPAFJEDLYRGO-DZSWIPIPSA-N

