
 (2S,1'S,2'S)-2-(carboxycyclopropyl)glycine

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.1818    0.9220   -0.0478 C   0  0  0  0  0
   -0.6640   -0.3295   -0.0448 C   0  0  0  0  0
    0.8291   -0.4172    0.2147 C   0  0  0  0  0
    1.3252   -0.7580    1.5627 C   0  0  0  0  0
    0.7874   -0.4360    2.6101 O   0  0  0  0  0
    2.4659   -1.4716    1.5371 O   0  0  0  0  0
   -1.2382   -0.8816   -1.3192 C   0  0  0  0  0
   -1.8678   -2.2732   -1.1304 C   0  0  0  0  0
   -1.5117   -3.1399   -0.3483 O   0  0  0  0  0
   -2.8900   -2.5142   -1.9858 O   0  0  0  0  0
   -2.2364    0.0918   -1.8088 N   0  0  0  0  0
    0.3766    1.4083   -0.9970 H   0  0  0  0  0
    0.0576    1.6106    0.7815 H   0  0  0  0  0
   -1.3342   -0.4627    0.8000 H   0  0  0  0  0
    1.4493   -0.8039   -0.5893 H   0  0  0  0  0
    2.6634   -1.6237    2.4842 H   0  0  0  0  0
   -0.4618   -0.9876   -2.0856 H   0  0  0  0  0
   -3.1678   -3.4283   -1.7636 H   0  0  0  0  0
   -2.9643    0.1935   -1.1020 H   0  0  0  0  0
   -2.7105   -0.3449   -2.6039 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  7  1  0  0  0
  2 14  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 16  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 18  1  0  0  0
 11 19  1  0  0  0
 11 20  1  0  0  0
M  END

>  <Chemical Name>
(2S,1'S,2'S)-2-(carboxycyclopropyl)glycine

>  <PubChem CID>
5310956

>  <Formula>
C6H9NO4

>  <Molecular Weight>
159.141000

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

>  <XlogP>
-3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1

>  <InChI Key>
GZOVEPYOCJWRFC-HZLVTQRSSA-N

