
 D-2-aminoadipic acid

 22 21  0  0  0  0  0  0  0  0999 V2000
    0.1097    0.2506    0.6473 C   0  0  0  0  0
   -0.2606   -0.8160   -0.3906 C   0  0  0  0  0
   -1.7455   -1.2071   -0.4158 C   0  0  0  0  0
   -2.1739   -1.9013    0.8865 C   0  0  0  0  0
   -1.5053   -2.6686    1.5586 O   0  0  0  0  0
   -3.4506   -1.6267    1.2440 O   0  0  0  0  0
   -2.6096   -0.0450   -0.7249 N   0  0  0  0  0
    1.6148    0.5179    0.6508 C   0  0  0  0  0
    1.9883    1.5455    1.6833 C   0  0  0  0  0
    1.2562    2.3681    2.2059 O   0  0  0  0  0
    3.3002    1.5058    1.9858 O   0  0  0  0  0
   -0.4204    1.1859    0.4339 H   0  0  0  0  0
   -0.2035   -0.0692    1.6482 H   0  0  0  0  0
    0.3386   -1.7165   -0.2023 H   0  0  0  0  0
    0.0292   -0.4568   -1.3871 H   0  0  0  0  0
   -1.8979   -1.9447   -1.2129 H   0  0  0  0  0
   -3.5815   -2.1526    2.0618 H   0  0  0  0  0
   -2.5425    0.6276    0.0405 H   0  0  0  0  0
   -3.5793   -0.3711   -0.6732 H   0  0  0  0  0
    1.9424    0.8833   -0.3286 H   0  0  0  0  0
    2.1483   -0.4124    0.8771 H   0  0  0  0  0
    3.4142    2.2187    2.6484 H   0  0  0  0  0
  1  8  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  7  1  0  0  0
  3  4  1  0  0  0
  3 16  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
  7 19  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 22  1  0  0  0
M  END

>  <Chemical Name>
D-2-aminoadipic acid

>  <PubChem CID>
165627

>  <Formula>
C6H11NO4

>  <Molecular Weight>
161.157000

>  <IUPAC Name>
(2R)-2-aminohexanedioic acid

>  <XlogP>
-3.100

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

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

>  <Isomeric SMILES>
C(C[C@H](C(=O)O)N)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m1/s1

>  <InChI Key>
OYIFNHCXNCRBQI-SCSAIBSYSA-N

