
 CHEMBL323887

 29 28  0  0  0  0  0  0  0  0999 V2000
    0.7620    0.0230   -0.2187 C   0  0  0  0  0
    2.2800   -0.1069   -0.0795 C   0  0  0  0  0
    2.7771   -1.2845   -0.9142 C   0  0  0  0  0
    2.9565    1.2145   -0.4673 C   0  0  0  0  0
    4.7313    1.2824   -0.2770 P   0  0  0  0  0
    5.2738    0.6799    0.9810 O   0  0  0  0  0
    5.4894    0.7073   -1.7893 C   0  0  0  0  0
    7.0149    0.7202   -1.7538 C   0  0  0  0  0
    7.6430    0.1443   -3.0211 C   0  0  0  0  0
    7.2785   -1.2548   -3.2089 N   0  0  0  0  0
    5.0431    2.8678   -0.3057 O   0  0  0  0  0
    0.3795    0.8271    0.4183 H   0  0  0  0  0
    0.2624   -0.9047    0.0799 H   0  0  0  0  0
    0.4764    0.2431   -1.2531 H   0  0  0  0  0
    2.5100   -0.3207    0.9717 H   0  0  0  0  0
    2.7160   -1.0681   -1.9860 H   0  0  0  0  0
    2.1851   -2.1845   -0.7167 H   0  0  0  0  0
    3.8148   -1.5257   -0.6657 H   0  0  0  0  0
    2.5408    2.0045    0.1711 H   0  0  0  0  0
    2.7011    1.4849   -1.4985 H   0  0  0  0  0
    5.1323    1.3232   -2.6223 H   0  0  0  0  0
    5.1398   -0.3093   -1.9804 H   0  0  0  0  0
    7.3647    0.1615   -0.8771 H   0  0  0  0  0
    7.3615    1.7514   -1.6183 H   0  0  0  0  0
    8.7332    0.2263   -2.9569 H   0  0  0  0  0
    7.3193    0.7202   -3.8946 H   0  0  0  0  0
    7.6007   -1.8044   -2.4118 H   0  0  0  0  0
    7.7652   -1.6274   -4.0237 H   0  0  0  0  0
    5.9143    3.0855    0.0819 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5 11  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL323887

>  <PubChem CID>
9920531

>  <Formula>
C7H18NO2P

>  <Molecular Weight>
179.200000

>  <IUPAC Name>
3-aminopropyl(2-methylpropyl)phosphinic acid

>  <XlogP>
-2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)CP(=O)(CCCN)O

>  <Isomeric SMILES>
CC(C)CP(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C7H18NO2P/c1-7(2)6-11(9,10)5-3-4-8/h7H,3-6,8H2,1-2H3,(H,9,10)

>  <InChI Key>
LPDXOZQQBPOYJU-UHFFFAOYSA-N

