
 CHEMBL365368

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.4724    0.7738    0.5040 C   0  0  0  0  0
    2.7603    0.0918    0.0623 C   0  0  0  0  0
    2.5494   -1.3725   -0.3695 C   0  0  0  0  0
    2.4427   -1.3626   -1.9136 C   0  0  0  0  0
    3.2206   -0.1331   -2.3326 C   0  0  0  0  0
    3.4180    0.7453   -1.1263 C   0  0  0  0  0
    2.6548    1.2773   -2.3185 C   0  0  0  0  0
    3.2627    2.3250   -3.1656 C   0  0  0  0  0
    4.3912    2.2876   -3.6257 O   0  0  0  0  0
    2.4474    3.3773   -3.3669 O   0  0  0  0  0
    0.9693   -1.4015   -2.3832 C   0  0  0  0  0
    0.3782   -0.5891   -3.0750 O   0  0  0  0  0
    0.3368   -2.5415   -2.0110 O   0  0  0  0  0
    3.1317   -2.5564   -2.4531 N   0  0  0  0  0
    1.6459    1.8369    0.7017 H   0  0  0  0  0
    1.0948    0.3151    1.4241 H   0  0  0  0  0
    0.6817    0.6975   -0.2481 H   0  0  0  0  0
    3.4551    0.1122    0.9112 H   0  0  0  0  0
    1.6928   -1.8379    0.1299 H   0  0  0  0  0
    3.4402   -1.9377   -0.0597 H   0  0  0  0  0
    4.0860   -0.3344   -2.9533 H   0  0  0  0  0
    4.4160    1.1143   -0.9235 H   0  0  0  0  0
    1.5838    1.3962   -2.2113 H   0  0  0  0  0
    2.9812    3.9779   -3.9262 H   0  0  0  0  0
   -0.5569   -2.4484   -2.4042 H   0  0  0  0  0
    3.0629   -2.5420   -3.4708 H   0  0  0  0  0
    2.6027   -3.3789   -2.1540 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 24  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL365368

>  <PubChem CID>
11344646

>  <Formula>
C9H13NO4

>  <Molecular Weight>
199.206000

>  <IUPAC Name>
(1S,2S,4S,5R,6S)-2-amino-4-methylbicyclo[3.1.0]hexane-2,6-dicarboxylic acid

>  <XlogP>
-2.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CC(C2C1C2C(=O)O)(C(=O)O)N

>  <Isomeric SMILES>
C[C@H]1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C9H13NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)/t3-,4-,5-,6-,9-/m0/s1

>  <InChI Key>
BQVZICWQBFTOJX-DJBRRKJBSA-N

