
 US8592379, 35

 37 36  0  0  0  0  0  0  0  0999 V2000
    5.1417    5.6474    4.1484 C   0  0  0  0  0
    4.2824    4.8264    3.1817 C   0  0  0  0  0
    3.1121    5.6787    2.6917 C   0  0  0  0  0
    5.1650    4.3086    2.0272 C   0  0  0  0  0
    4.4564    3.4172    0.9892 C   0  0  0  0  0
    5.4276    2.8804   -0.0858 C   0  0  0  0  0
    6.0884    3.9679   -0.9377 C   0  0  0  0  0
    7.0444    3.3552   -1.9820 C   0  0  0  0  0
    7.6152    4.4104   -2.8386 N   0  0  0  0  0
    8.7115    3.8796   -3.6424 C   0  0  0  0  0
    5.0685    4.7234   -1.5944 O   0  0  0  0  0
    3.8175    2.2089    1.6643 C   0  0  0  0  0
    4.4691    1.4421    2.3770 O   0  0  0  0  0
    2.3521    1.9750    1.4102 C   0  0  0  0  0
    5.5685    6.5262    3.6516 H   0  0  0  0  0
    5.9690    5.0467    4.5419 H   0  0  0  0  0
    4.5476    5.9959    5.0002 H   0  0  0  0  0
    3.8795    3.9735    3.7403 H   0  0  0  0  0
    2.5394    6.0721    3.5392 H   0  0  0  0  0
    3.4609    6.5293    2.0960 H   0  0  0  0  0
    2.4187    5.0969    2.0781 H   0  0  0  0  0
    6.0097    3.7522    2.4560 H   0  0  0  0  0
    5.5963    5.1797    1.5181 H   0  0  0  0  0
    3.6648    3.9919    0.4956 H   0  0  0  0  0
    4.8630    2.2067   -0.7454 H   0  0  0  0  0
    6.2053    2.2686    0.3901 H   0  0  0  0  0
    6.6569    4.6545   -0.3017 H   0  0  0  0  0
    6.5033    2.6412   -2.6155 H   0  0  0  0  0
    7.8407    2.8152   -1.4548 H   0  0  0  0  0
    6.8857    4.7322   -3.4762 H   0  0  0  0  0
    8.3707    3.0750   -4.3022 H   0  0  0  0  0
    9.5235    3.5060   -3.0098 H   0  0  0  0  0
    9.1234    4.6780   -4.2672 H   0  0  0  0  0
    5.5397    5.4644   -2.0186 H   0  0  0  0  0
    1.7693    2.8059    1.8138 H   0  0  0  0  0
    2.0344    1.0523    1.9060 H   0  0  0  0  0
    2.1755    1.8751    0.3357 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  4  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5 12  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 34  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
M  END

>  <Chemical Name>
US8592379, 35

>  <PubChem CID>
58143615

>  <Formula>
C11H23NO2

>  <Molecular Weight>
201.310000

>  <IUPAC Name>
(5R)-5-hydroxy-6-(methylamino)-3-(2-methylpropyl)hexan-2-one

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)CC(CC(CNC)O)C(=O)C

>  <Isomeric SMILES>
CC(C)CC(C[C@H](CNC)O)C(=O)C

>  <InChI Std. ID>
InChI=1S/C11H23NO2/c1-8(2)5-10(9(3)13)6-11(14)7-12-4/h8,10-12,14H,5-7H2,1-4H3/t10?,11-/m1/s1

>  <InChI Key>
DXAGOQFKSWOAON-RRKGBCIJSA-N

