
 CHEMBL287703

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.5083    1.2280   -0.0593 C   0  0  0  0  0
   -0.5097    0.1610   -0.3619 C   0  0  0  0  0
    0.7814   -0.1976    0.3575 C   0  0  0  0  0
    1.8573   -0.9697   -0.3443 C   0  0  0  0  0
    3.0022   -0.5870   -0.5064 O   0  0  0  0  0
    1.4377   -2.1966   -0.7317 O   0  0  0  0  0
    0.6816   -0.5162    1.7998 N   0  0  0  0  0
   -0.7807   -0.2036   -1.7922 C   0  0  0  0  0
   -1.8756   -1.6156   -1.9419 P   0  0  0  0  0
   -2.1068   -2.1031   -3.3317 O   0  0  0  0  0
   -1.3133   -2.7354   -0.9443 O   0  0  0  0  0
   -3.2150   -1.1693   -1.1834 O   0  0  0  0  0
    1.0903    1.6440   -0.8743 H   0  0  0  0  0
    0.2632    1.9511    0.7112 H   0  0  0  0  0
   -1.4263    0.1887    0.2211 H   0  0  0  0  0
    2.2467   -2.5876   -1.1360 H   0  0  0  0  0
    1.4947   -0.1396    2.2903 H   0  0  0  0  0
    0.7133   -1.5253    1.9516 H   0  0  0  0  0
    0.1447   -0.4151   -2.3372 H   0  0  0  0  0
   -1.2531    0.6482   -2.2933 H   0  0  0  0  0
   -0.4152   -2.5678   -0.5944 H   0  0  0  0  0
   -3.9180   -1.8387   -1.2958 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2 15  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 16  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL287703

>  <PubChem CID>
125799

>  <Formula>
C5H10NO5P

>  <Molecular Weight>
195.111000

>  <IUPAC Name>
(1R,2R)-1-amino-2-(phosphonomethyl)cyclopropane-1-carboxylic acid

>  <XlogP>
-5.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(C1(C(=O)O)N)CP(=O)(O)O

>  <Isomeric SMILES>
C1[C@H]([C@]1(C(=O)O)N)CP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5+/m0/s1

>  <InChI Key>
RACNCOSUCJNQDH-WVZVXSGGSA-N

