
 CHEMBL199626

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.5890    0.3536    0.1563 C   0  0  0  0  0
   -0.4618   -0.5456   -0.4489 C   0  0  0  0  0
    0.6703   -1.1368    0.3652 C   0  0  0  0  0
    0.3362   -1.8198    1.9838 P   0  0  0  0  0
   -1.0305   -1.4181    2.4010 O   0  0  0  0  0
    0.6840   -3.3687    1.8604 O   0  0  0  0  0
    1.5390   -1.2763    2.8839 O   0  0  0  0  0
   -0.5295   -0.7806   -1.9314 C   0  0  0  0  0
   -1.5378   -1.8809   -2.3138 C   0  0  0  0  0
   -1.7932   -2.8925   -1.6817 O   0  0  0  0  0
   -2.1294   -1.6675   -3.5128 O   0  0  0  0  0
   -0.8832    0.5099   -2.5596 N   0  0  0  0  0
    1.3037    0.8227   -0.5105 H   0  0  0  0  0
    0.2825    0.9784    0.9887 H   0  0  0  0  0
   -1.4493   -0.5130    0.0032 H   0  0  0  0  0
    1.4579   -1.6571   -0.1658 H   0  0  0  0  0
    0.4358   -3.8545    2.6678 H   0  0  0  0  0
    2.2111   -0.7710    2.3921 H   0  0  0  0  0
    0.4445   -1.0937   -2.3254 H   0  0  0  0  0
   -2.7162   -2.4456   -3.6187 H   0  0  0  0  0
   -1.7836    0.8112   -2.1877 H   0  0  0  0  0
   -1.0706    0.3148   -3.5471 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>
CHEMBL199626

>  <PubChem CID>
44406221

>  <Formula>
C5H10NO5P

>  <Molecular Weight>
195.111000

>  <IUPAC Name>
(2S)-2-amino-2-[(1S,2R)-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@@H](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+/m1/s1

>  <InChI Key>
KZOMBNQLBSHMFV-JJYYJPOSSA-N

