
 CHEMBL357043

 21 21  0  0  0  0  0  0  0  0999 V2000
   -0.0158    0.5037   -0.1502 C   0  0  0  0  0
   -0.8832   -0.6132    0.4065 C   0  0  0  0  0
    0.6055   -0.8027    0.2658 C   0  0  0  0  0
    1.3586   -0.7532    1.4892 O   0  0  0  0  0
   -1.8011   -1.4079   -0.4273 C   0  0  0  0  0
   -1.5399   -1.8632   -1.5286 O   0  0  0  0  0
   -3.0049   -1.5973    0.1463 O   0  0  0  0  0
   -0.0150    0.9085   -1.5971 C   0  0  0  0  0
   -0.9919    2.0627   -1.8804 C   0  0  0  0  0
   -2.0651    2.2656   -1.3339 O   0  0  0  0  0
   -0.5710    2.8888   -2.8674 O   0  0  0  0  0
    1.3769    1.3008   -1.9267 N   0  0  0  0  0
    0.1332    1.3582    0.5040 H   0  0  0  0  0
   -1.2477   -0.4563    1.4183 H   0  0  0  0  0
    0.9629   -1.4692   -0.5149 H   0  0  0  0  0
    2.2886   -0.5287    1.3063 H   0  0  0  0  0
   -3.5007   -2.1308   -0.5094 H   0  0  0  0  0
   -0.2901    0.0869   -2.2628 H   0  0  0  0  0
   -1.2911    3.5503   -2.9419 H   0  0  0  0  0
    1.6093    2.1395   -1.3955 H   0  0  0  0  0
    1.3649    1.6180   -2.9001 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2 14  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4 16  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 17  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 19  1  0  0  0
 12 20  1  0  0  0
 12 21  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL357043

>  <PubChem CID>
44361402

>  <Formula>
C6H9NO5

>  <Molecular Weight>
175.140000

>  <IUPAC Name>
(1S,2R,3S)-2-[(R)-amino(carboxy)methyl]-3-hydroxycyclopropane-1-carboxylic acid

>  <XlogP>
-3.9

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1(C(C1O)C(=O)O)C(C(=O)O)N

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

>  <InChI Std. ID>
InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m1/s1

>  <InChI Key>
LGSORWLWDBCUMM-XHGCLVTGSA-N

