
 5-Carboxamidotryptamine

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.1408    0.7999    0.0123 C   0  0  0  0  0
    0.9208    1.4836    0.0008 C   0  0  0  0  0
   -0.2491    0.7166   -0.0128 C   0  0  0  0  0
   -0.2409   -0.6780   -0.0077 C   0  0  0  0  0
    1.0019   -1.3474    0.0078 C   0  0  0  0  0
    2.1901   -0.5985    0.0036 C   0  0  0  0  0
    3.5271   -1.2514    0.0105 C   0  0  0  0  0
    4.5322   -0.6583    0.3831 O   0  0  0  0  0
    3.6089   -2.5342   -0.4554 N   0  0  0  0  0
   -1.6047   -1.1163   -0.0127 C   0  0  0  0  0
   -2.3897    0.0201   -0.0267 C   0  0  0  0  0
   -1.5659    1.1132   -0.0260 N   0  0  0  0  0
   -2.0909   -2.5327   -0.0053 C   0  0  0  0  0
   -2.2279   -3.0892    1.4167 C   0  0  0  0  0
   -2.6731   -4.4833    1.4056 N   0  0  0  0  0
    3.0674    1.3725    0.0250 H   0  0  0  0  0
    0.8926    2.5684    0.0042 H   0  0  0  0  0
    1.0170   -2.4308    0.0461 H   0  0  0  0  0
    2.8647   -2.9821   -0.9690 H   0  0  0  0  0
    4.5379   -2.9272   -0.5305 H   0  0  0  0  0
   -3.4648    0.1428   -0.0363 H   0  0  0  0  0
   -1.8740    2.0758   -0.0320 H   0  0  0  0  0
   -1.3994   -3.1572   -0.5855 H   0  0  0  0  0
   -3.0596   -2.5853   -0.5194 H   0  0  0  0  0
   -2.9432   -2.4884    1.9904 H   0  0  0  0  0
   -1.2661   -3.0317    1.9387 H   0  0  0  0  0
   -3.5996   -4.5416    0.9840 H   0  0  0  0  0
   -2.7809   -4.8044    2.3674 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 19  1  0  0  0
  9 20  1  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
 13 14  1  0  0  0
 13 23  1  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 14 26  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
M  END

>  <Chemical Name>
5-Carboxamidotryptamine

>  <PubChem CID>
1809

>  <Formula>
C11H13N3O

>  <Molecular Weight>
203.245000

>  <IUPAC Name>
3-(2-aminoethyl)-1H-indole-5-carboxamide

>  <XlogP>
-0.600

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN

>  <Isomeric SMILES>
C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN

>  <InChI Std. ID>
InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)

>  <InChI Key>
WKZLNEWVIAGNAW-UHFFFAOYSA-N

