
 CHEMBL300330

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.9987   -0.0137   -0.0731 C   0  0  0  0  0
    2.4462    0.0787    0.0475 N   0  0  0  0  0
    2.8673    1.1186    1.0007 C   0  0  0  0  0
    4.3404    0.7688    1.2544 C   0  0  0  0  0
    4.2798   -0.7601    1.3611 C   0  0  0  0  0
    3.0706   -1.1798    0.5125 C   0  0  0  0  0
    3.5012   -2.0067   -0.6947 C   0  0  0  0  0
    4.5339   -1.8927   -1.3366 O   0  0  0  0  0
    2.5755   -2.9224   -1.0543 O   0  0  0  0  0
    4.8496    1.3901    2.5559 C   0  0  0  0  0
    4.2082    2.0397    3.3663 O   0  0  0  0  0
    6.1572    1.1234    2.7858 O   0  0  0  0  0
    5.1958    1.1977    0.1161 N   0  0  0  0  0
    0.7196   -0.7711   -0.8132 H   0  0  0  0  0
    0.5850    0.9384   -0.4232 H   0  0  0  0  0
    0.5171   -0.2677    0.8780 H   0  0  0  0  0
    2.2826    1.0655    1.9287 H   0  0  0  0  0
    2.7445    2.1225    0.5791 H   0  0  0  0  0
    5.2204   -1.2355    1.0586 H   0  0  0  0  0
    4.1057   -1.0556    2.4049 H   0  0  0  0  0
    2.4018   -1.7817    1.1411 H   0  0  0  0  0
    2.9485   -3.3209   -1.8684 H   0  0  0  0  0
    6.3540    1.6160    3.6093 H   0  0  0  0  0
    4.8227    0.7673   -0.7350 H   0  0  0  0  0
    6.1285    0.8031    0.2455 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 22  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 23  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL300330

>  <PubChem CID>
44302818

>  <Formula>
C7H12N2O4

>  <Molecular Weight>
188.183000

>  <IUPAC Name>
(2R,4R)-4-amino-1-methylpyrrolidine-2,4-dicarboxylic acid

>  <XlogP>
-6.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CC(CC1C(=O)O)(C(=O)O)N

>  <Isomeric SMILES>
CN1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C7H12N2O4/c1-9-3-7(8,6(12)13)2-4(9)5(10)11/h4H,2-3,8H2,1H3,(H,10,11)(H,12,13)/t4-,7-/m1/s1

>  <InChI Key>
AWGRHEDNWXKCFJ-CLZZGJSISA-N

