
 CHEMBL34880

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.1140    1.0029   -0.1238 C   0  0  0  0  0
   -0.7305   -0.2416   -0.0607 C   0  0  0  0  0
    0.7609   -0.3145    0.2301 C   0  0  0  0  0
    1.7053   -0.9459   -0.7478 C   0  0  0  0  0
    2.6615   -0.3876   -1.2608 O   0  0  0  0  0
    1.4266   -2.2524   -0.9599 O   0  0  0  0  0
    1.1530   -0.5289    1.6416 N   0  0  0  0  0
   -1.3496   -0.7744   -1.3192 C   0  0  0  0  0
   -2.1580   -2.3536   -1.0629 P   0  0  0  0  0
   -2.7111   -2.9997   -2.2877 O   0  0  0  0  0
   -1.1183   -3.2706   -0.2583 O   0  0  0  0  0
   -3.2569   -2.0689    0.0683 O   0  0  0  0  0
    0.3347    1.4384   -1.0922 H   0  0  0  0  0
   -0.0162    1.7385    0.6626 H   0  0  0  0  0
   -1.4173   -0.3135    0.7783 H   0  0  0  0  0
    2.1353   -2.5317   -1.5836 H   0  0  0  0  0
    1.9925    0.0138    1.8514 H   0  0  0  0  0
    1.4076   -1.5040    1.8043 H   0  0  0  0  0
   -0.6110   -0.8805   -2.1199 H   0  0  0  0  0
   -2.1015   -0.0623   -1.6763 H   0  0  0  0  0
   -0.2027   -2.9230   -0.2175 H   0  0  0  0  0
   -3.8220   -2.8521    0.2104 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>
CHEMBL34880

>  <PubChem CID>
16748099

>  <Formula>
C5H10NO5P

>  <Molecular Weight>
195.111000

>  <IUPAC Name>
(1R,2S)-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-/m1/s1

>  <InChI Key>
RACNCOSUCJNQDH-NQXXGFSBSA-N

