
 cppg

 32 33  0  0  0  0  0  0  0  0999 V2000
   -0.8403   -0.9771   -0.4068 C   0  0  0  0  0
    0.3331   -1.4131   -1.2417 C   0  0  0  0  0
    0.5447   -0.4639   -0.0819 C   0  0  0  0  0
    1.3130   -0.8593    1.1770 C   0  0  0  0  0
    0.8320    0.0421    2.3314 C   0  0  0  0  0
   -0.3008   -0.2848    3.0966 C   0  0  0  0  0
   -0.7538    0.5550    4.1209 C   0  0  0  0  0
   -0.1045    1.7607    4.4039 C   0  0  0  0  0
    1.0073    2.1104    3.6327 C   0  0  0  0  0
    1.4634    1.2695    2.6117 C   0  0  0  0  0
   -0.7208    2.8103    5.6714 P   0  0  0  0  0
   -1.2702    2.2154    6.9275 O   0  0  0  0  0
    0.4033    3.9108    5.9959 O   0  0  0  0  0
   -1.7855    3.7742    4.9493 O   0  0  0  0  0
    1.2231   -2.3922    1.5330 C   0  0  0  0  0
    0.2294   -3.0452    1.8199 O   0  0  0  0  0
    2.4183   -3.0357    1.4619 O   0  0  0  0  0
    2.7331   -0.5546    0.8170 N   0  0  0  0  0
   -1.5440   -0.2767   -0.8450 H   0  0  0  0  0
   -1.3077   -1.7101    0.2399 H   0  0  0  0  0
    0.4201   -1.0086   -2.2443 H   0  0  0  0  0
    0.6498   -2.4460   -1.1613 H   0  0  0  0  0
    0.7341    0.5766   -0.3410 H   0  0  0  0  0
   -0.8642   -1.1967    2.9075 H   0  0  0  0  0
   -1.6279    0.2647    4.7035 H   0  0  0  0  0
    1.5289    3.0471    3.8232 H   0  0  0  0  0
    2.3221    1.5934    2.0245 H   0  0  0  0  0
    0.1229    4.4407    6.7666 H   0  0  0  0  0
   -1.6422    3.8566    3.9885 H   0  0  0  0  0
    2.1880   -3.9631    1.6859 H   0  0  0  0  0
    2.9981   -1.2208    0.0890 H   0  0  0  0  0
    3.2986   -0.8458    1.6174 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4 18  1  0  0  0
  4 15  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 11 14  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
M  END

>  <Chemical Name>
cppg

>  <PubChem CID>
2878

>  <Formula>
C11H14NO5P

>  <Molecular Weight>
271.209000

>  <IUPAC Name>
2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid

>  <XlogP>
-3.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1C(C2=CC=C(C=C2)P(=O)(O)O)(C(=O)O)N

>  <Isomeric SMILES>
C1CC1C(C2=CC=C(C=C2)P(=O)(O)O)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)

>  <InChI Key>
IGODGTDUQSMDQU-UHFFFAOYSA-N

