
 CHEMBL442076

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.2089    0.7154    0.0083 C   0  0  0  0  0
   -0.6513   -0.5211   -0.0940 C   0  0  0  0  0
    0.8528   -0.6468    0.0297 C   0  0  0  0  0
    1.5681   -1.2654    1.5475 P   0  0  0  0  0
    0.5150   -1.2988    2.5949 O   0  0  0  0  0
    2.2963   -2.6204    1.1395 O   0  0  0  0  0
    2.8015   -0.2877    1.8162 O   0  0  0  0  0
   -1.3354   -0.8975   -1.3777 C   0  0  0  0  0
   -2.0032   -2.2830   -1.3096 C   0  0  0  0  0
   -1.6015   -3.2632   -0.7041 O   0  0  0  0  0
   -3.1245   -2.3718   -2.0650 O   0  0  0  0  0
   -2.3268    0.1597   -1.6686 N   0  0  0  0  0
    0.3254    1.3295   -0.8776 H   0  0  0  0  0
    0.1545    1.2783    0.9342 H   0  0  0  0  0
   -1.2557   -0.7652    0.7754 H   0  0  0  0  0
    1.4124   -0.9296   -0.8536 H   0  0  0  0  0
    2.6333   -3.0933    1.9226 H   0  0  0  0  0
    2.9547    0.3681    1.1121 H   0  0  0  0  0
   -0.6220   -0.9310   -2.2092 H   0  0  0  0  0
   -3.4155   -3.2991   -1.9320 H   0  0  0  0  0
   -2.9882    0.2013   -0.8934 H   0  0  0  0  0
   -2.8858   -0.1711   -2.4601 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  4  1  0  0  0
  3 16  1  0  0  0
  4  7  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 17  1  0  0  0
  7 18  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL442076

>  <PubChem CID>
11708219

>  <Formula>
C5H10NO5P

>  <Molecular Weight>
195.111000

>  <IUPAC Name>
2-amino-2-[(1R,2S)-2-phosphonocyclopropyl]acetic acid

>  <XlogP>
-4.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(C1P(=O)(O)O)C(C(=O)O)N

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

>  <InChI Std. ID>
InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1

>  <InChI Key>
KZOMBNQLBSHMFV-LPGMDIISSA-N

