
 CHEMBL507241

 31 31  0  0  0  0  0  0  0  0999 V2000
    3.5162   -1.4065    1.9749 C   0  0  0  0  0
    4.6249   -0.3662    1.9576 C   0  0  0  0  0
    4.0726    1.0289    1.6769 C   0  0  0  0  0
    5.1746    2.0829    1.6628 C   0  0  0  0  0
    4.5826    3.7375    1.2542 P   0  0  0  0  0
    3.9995    3.8049   -0.1268 O   0  0  0  0  0
    3.7406    4.2863    2.6563 C   0  0  0  0  0
    4.2281    4.8662    3.7635 C   0  0  0  0  0
    3.1457    5.2153    4.7335 C   0  0  0  0  0
    1.9634    4.3782    4.2180 C   0  0  0  0  0
    2.2468    4.1733    2.7217 C   0  0  0  0  0
    0.6564    4.9743    4.4778 N   0  0  0  0  0
    5.9707    4.5720    1.2584 O   0  0  0  0  0
    3.9296   -2.3990    2.1799 H   0  0  0  0  0
    2.9997   -1.4459    1.0100 H   0  0  0  0  0
    2.7769   -1.1796    2.7504 H   0  0  0  0  0
    5.3612   -0.6373    1.1927 H   0  0  0  0  0
    5.1410   -0.3745    2.9242 H   0  0  0  0  0
    3.3290    1.2891    2.4384 H   0  0  0  0  0
    3.5509    1.0381    0.7121 H   0  0  0  0  0
    5.9296    1.8090    0.9167 H   0  0  0  0  0
    5.6806    2.1110    2.6342 H   0  0  0  0  0
    5.2747    5.0842    3.9310 H   0  0  0  0  0
    3.4081    4.9365    5.7582 H   0  0  0  0  0
    2.9494    6.2932    4.6992 H   0  0  0  0  0
    1.9881    3.3971    4.7142 H   0  0  0  0  0
    1.7916    4.9493    2.0958 H   0  0  0  0  0
    1.8848    3.1966    2.3848 H   0  0  0  0  0
    0.5888    5.8774    4.0094 H   0  0  0  0  0
    0.5590    5.1664    5.4744 H   0  0  0  0  0
    5.8634    5.4484    0.8411 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  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5 13  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL507241

>  <PubChem CID>
11608127

>  <Formula>
C9H18NO2P

>  <Molecular Weight>
203.222000

>  <IUPAC Name>
(4-aminocyclopenten-1-yl)-butylphosphinic acid

>  <XlogP>
-2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCP(=O)(C1=CCC(C1)N)O

>  <Isomeric SMILES>
CCCCP(=O)(C1=CCC(C1)N)O

>  <InChI Std. ID>
InChI=1S/C9H18NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h5,8H,2-4,6-7,10H2,1H3,(H,11,12)

>  <InChI Key>
WCUPFODMXRJZNL-UHFFFAOYSA-N

