
 2-amino-4-phosphonobutanoic acid

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.1772    0.1320    0.1973 C   0  0  0  0  0
    0.9429    1.0819    1.3700 C   0  0  0  0  0
    1.4377    2.7836    1.2098 P   0  0  0  0  0
    0.8796    3.7149    2.2341 O   0  0  0  0  0
    3.0321    2.8266    1.1111 O   0  0  0  0  0
    1.0407    3.2289   -0.2781 O   0  0  0  0  0
    2.6188   -0.3662    0.0681 C   0  0  0  0  0
    2.7115   -1.5181   -0.9512 C   0  0  0  0  0
    1.8939   -2.4029   -1.1340 O   0  0  0  0  0
    3.8742   -1.5107   -1.6453 O   0  0  0  0  0
    3.5236    0.7506   -0.3189 N   0  0  0  0  0
    0.5219   -0.7370    0.3440 H   0  0  0  0  0
    0.8491    0.6002   -0.7388 H   0  0  0  0  0
    1.3855    0.6663    2.2823 H   0  0  0  0  0
   -0.1399    1.1080    1.5454 H   0  0  0  0  0
    3.4080    2.0378    0.6424 H   0  0  0  0  0
    1.1514    4.1951   -0.3730 H   0  0  0  0  0
    2.9682   -0.7695    1.0252 H   0  0  0  0  0
    3.8102   -2.3065   -2.2165 H   0  0  0  0  0
    3.2348    1.0584   -1.2590 H   0  0  0  0  0
    4.4376    0.3117   -0.5127 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 16  1  0  0  0
  6 17  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 19  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
M  END

>  <Chemical Name>
2-amino-4-phosphonobutanoic acid

>  <PubChem CID>
2207

>  <Formula>
C4H10NO5P

>  <Molecular Weight>
183.100000

>  <IUPAC Name>
2-amino-4-phosphonobutanoic acid

>  <XlogP>
-5.500

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

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

>  <Isomeric SMILES>
C(CP(=O)(O)O)C(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)

>  <InChI Key>
DDOQBQRIEWHWBT-UHFFFAOYSA-N

