
 CHEMBL326622

 40 39  0  0  0  0  0  0  0  0999 V2000
    3.2742   -0.8709   -2.1125 C   0  0  0  0  0
    2.8219   -0.4161   -0.7280 C   0  0  0  0  0
    3.2081   -1.4169    0.3565 C   0  0  0  0  0
    3.2088    0.9246   -0.4262 O   0  0  0  0  0
    4.6012    1.1853   -0.2106 C   0  0  0  0  0
    5.3277    1.0094   -1.4241 O   0  0  0  0  0
    6.7457    1.1564   -1.3737 C   0  0  0  0  0
    7.4138    0.2506   -0.3456 C   0  0  0  0  0
    7.2490    0.8126   -2.7738 C   0  0  0  0  0
    4.6953    2.9145    0.3427 P   0  0  0  0  0
    6.0661    3.4625    0.6348 O   0  0  0  0  0
    3.7409    3.9348   -0.7778 C   0  0  0  0  0
    4.3066    3.9922   -2.1941 C   0  0  0  0  0
    3.5669    4.9705   -3.1023 C   0  0  0  0  0
    2.1644    4.6057   -3.2540 N   0  0  0  0  0
    3.8213    2.9737    1.7091 O   0  0  0  0  0
    3.1096   -0.0825   -2.8537 H   0  0  0  0  0
    2.7241   -1.7641   -2.4242 H   0  0  0  0  0
    4.3387   -1.1257   -2.1286 H   0  0  0  0  0
    1.7257   -0.3833   -0.7547 H   0  0  0  0  0
    4.2916   -1.5576    0.4117 H   0  0  0  0  0
    2.7557   -2.3941    0.1614 H   0  0  0  0  0
    2.8737   -1.0661    1.3388 H   0  0  0  0  0
    4.9764    0.5414    0.5878 H   0  0  0  0  0
    7.0022    2.2005   -1.1841 H   0  0  0  0  0
    7.0672   -0.7838   -0.4469 H   0  0  0  0  0
    7.1784    0.5721    0.6743 H   0  0  0  0  0
    8.5038    0.2702   -0.4494 H   0  0  0  0  0
    6.9953   -0.2210   -3.0380 H   0  0  0  0  0
    8.3333    0.9389   -2.8529 H   0  0  0  0  0
    6.7683    1.4539   -3.5212 H   0  0  0  0  0
    3.7056    4.9472   -0.3583 H   0  0  0  0  0
    2.7116    3.5624   -0.7958 H   0  0  0  0  0
    4.2786    2.9924   -2.6401 H   0  0  0  0  0
    5.3637    4.2791   -2.1466 H   0  0  0  0  0
    4.0448    4.9777   -4.0885 H   0  0  0  0  0
    3.6345    5.9856   -2.6966 H   0  0  0  0  0
    2.0930    3.6566   -3.6215 H   0  0  0  0  0
    1.7279    5.2129   -3.9463 H   0  0  0  0  0
    3.8868    3.8377    2.1630 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 16  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL326622

>  <PubChem CID>
9878233

>  <Formula>
C10H24NO4P

>  <Molecular Weight>
253.279000

>  <IUPAC Name>
3-aminopropyl-[di(propan-2-yloxy)methyl]phosphinic acid

>  <XlogP>
-2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)OC(OC(C)C)P(=O)(CCCN)O

>  <Isomeric SMILES>
CC(C)OC(OC(C)C)P(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C10H24NO4P/c1-8(2)14-10(15-9(3)4)16(12,13)7-5-6-11/h8-10H,5-7,11H2,1-4H3,(H,12,13)

>  <InChI Key>
OOYURORZJZERMR-UHFFFAOYSA-N

