
 CHEMBL115162

 28 27  0  0  0  0  0  0  0  0999 V2000
    7.0495   -1.4825    0.2291 C   0  0  0  0  0
    6.7106   -0.3452   -0.6955 C   0  0  0  0  0
    7.5900    0.3600   -1.1933 O   0  0  0  0  0
    5.2506    0.0212   -0.8516 C   0  0  0  0  0
    4.8436    1.0220    0.2140 C   0  0  0  0  0
    5.5723    2.6498    0.0241 P   0  0  0  0  0
    5.3161    3.2836   -1.3064 O   0  0  0  0  0
    5.0345    3.6004    1.4378 C   0  0  0  0  0
    5.6263    5.0052    1.4846 C   0  0  0  0  0
    5.2350    5.7748    2.7426 C   0  0  0  0  0
    3.7902    5.9539    2.8355 N   0  0  0  0  0
    7.1442    2.4285    0.2987 O   0  0  0  0  0
    6.3375   -2.3002    0.0999 H   0  0  0  0  0
    7.0250   -1.1277    1.2619 H   0  0  0  0  0
    8.0491   -1.8571   -0.0061 H   0  0  0  0  0
    4.6462   -0.8894   -0.7821 H   0  0  0  0  0
    5.1048    0.4322   -1.8562 H   0  0  0  0  0
    5.0878    0.6404    1.2118 H   0  0  0  0  0
    3.7556    1.1462    0.1783 H   0  0  0  0  0
    5.3037    3.0540    2.3487 H   0  0  0  0  0
    3.9411    3.6522    1.4062 H   0  0  0  0  0
    5.3187    5.5595    0.5893 H   0  0  0  0  0
    6.7197    4.9357    1.4401 H   0  0  0  0  0
    5.7199    6.7568    2.7335 H   0  0  0  0  0
    5.5882    5.2426    3.6323 H   0  0  0  0  0
    3.4614    6.4731    2.0208 H   0  0  0  0  0
    3.5761    6.5365    3.6443 H   0  0  0  0  0
    7.6069    1.9517   -0.4369 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6 12  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL115162

>  <PubChem CID>
9964332

>  <Formula>
C7H16NO3P

>  <Molecular Weight>
193.183000

>  <IUPAC Name>
3-aminopropyl(3-oxobutyl)phosphinic acid

>  <XlogP>
-4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)CCP(=O)(CCCN)O

>  <Isomeric SMILES>
CC(=O)CCP(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C7H16NO3P/c1-7(9)3-6-12(10,11)5-2-4-8/h2-6,8H2,1H3,(H,10,11)

>  <InChI Key>
IAGPVHRXRZLILV-UHFFFAOYSA-N

