
 CHEMBL507116

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.0021   -0.4888    0.0641 C   0  0  0  0  0
    2.5097   -0.2643    0.1637 C   0  0  0  0  0
    3.2069   -0.9311   -1.0216 C   0  0  0  0  0
    2.9157    1.5049    0.2770 P   0  0  0  0  0
    2.5784    2.2403   -0.9884 O   0  0  0  0  0
    2.3659    2.0246    1.8287 C   0  0  0  0  0
    1.4220    2.9401    2.0916 C   0  0  0  0  0
    1.2435    3.1570    3.5594 C   0  0  0  0  0
    1.9774    1.9529    4.1796 C   0  0  0  0  0
    2.9721    1.4999    3.0955 C   0  0  0  0  0
    1.0471    0.8633    4.5174 N   0  0  0  0  0
    4.5269    1.4713    0.4229 O   0  0  0  0  0
    0.4878   -0.0592    0.9291 H   0  0  0  0  0
    0.7631   -1.5564    0.0238 H   0  0  0  0  0
    0.5949   -0.0091   -0.8321 H   0  0  0  0  0
    2.8700   -0.7517    1.0765 H   0  0  0  0  0
    2.9070   -0.4658   -1.9661 H   0  0  0  0  0
    2.9699   -1.9987   -1.0705 H   0  0  0  0  0
    4.2933   -0.8300   -0.9356 H   0  0  0  0  0
    0.8740    3.4855    1.3334 H   0  0  0  0  0
    1.7119    4.1013    3.8580 H   0  0  0  0  0
    0.1856    3.1938    3.8385 H   0  0  0  0  0
    2.5032    2.2399    5.0965 H   0  0  0  0  0
    3.1022    0.4139    3.0805 H   0  0  0  0  0
    3.9546    1.9587    3.2545 H   0  0  0  0  0
    0.5105    0.6119    3.6863 H   0  0  0  0  0
    0.3631    1.2022    5.1936 H   0  0  0  0  0
    4.9208    2.3421    0.2193 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  1  0  0  0
  2 16  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4 12  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 23  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>
CHEMBL507116

>  <PubChem CID>
11694042

>  <Formula>
C8H16NO2P

>  <Molecular Weight>
189.195000

>  <IUPAC Name>
(4-aminocyclopenten-1-yl)-propan-2-ylphosphinic acid

>  <XlogP>
-2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)P(=O)(C1=CCC(C1)N)O

>  <Isomeric SMILES>
CC(C)P(=O)(C1=CCC(C1)N)O

>  <InChI Std. ID>
InChI=1S/C8H16NO2P/c1-6(2)12(10,11)8-4-3-7(9)5-8/h4,6-7H,3,5,9H2,1-2H3,(H,10,11)

>  <InChI Key>
GHMDNOGDVOJHGN-UHFFFAOYSA-N

