
 (RS)-MCPG

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2434    0.3846    0.4635 C   0  0  0  0  0
    2.5580   -0.3448    0.1541 C   0  0  0  0  0
    3.0943   -1.0090    1.4319 C   0  0  0  0  0
    3.9923   -0.3311    2.2791 C   0  0  0  0  0
    4.4786   -0.9253    3.4481 C   0  0  0  0  0
    4.0675   -2.2108    3.8066 C   0  0  0  0  0
    3.1521   -2.8889    2.9965 C   0  0  0  0  0
    2.6654   -2.2895    1.8281 C   0  0  0  0  0
    4.6189   -2.8091    5.0457 C   0  0  0  0  0
    5.4012   -2.2751    5.8103 O   0  0  0  0  0
    4.1720   -4.0584    5.2669 O   0  0  0  0  0
    2.2994   -1.3893   -0.9762 C   0  0  0  0  0
    1.3009   -2.0758   -1.1347 O   0  0  0  0  0
    3.3468   -1.5298   -1.8272 O   0  0  0  0  0
    3.5191    0.6725   -0.3675 N   0  0  0  0  0
    0.8211    0.8479   -0.4366 H   0  0  0  0  0
    1.3830    1.1718    1.2144 H   0  0  0  0  0
    0.4851   -0.3058    0.8528 H   0  0  0  0  0
    4.3240    0.6773    2.0345 H   0  0  0  0  0
    5.1790   -0.3769    4.0752 H   0  0  0  0  0
    2.8053   -3.8839    3.2642 H   0  0  0  0  0
    1.9379   -2.8467    1.2393 H   0  0  0  0  0
    4.6193   -4.3209    6.0985 H   0  0  0  0  0
    3.0569   -2.2390   -2.4392 H   0  0  0  0  0
    3.1160    1.0961   -1.2029 H   0  0  0  0  0
    4.3265    0.1468   -0.7164 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2 15  1  0  0  0
  2 12  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 21  1  0  0  0
  8 22  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 23  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 24  1  0  0  0
 15 25  1  0  0  0
 15 26  1  0  0  0
M  END

>  <Chemical Name>
(RS)-MCPG

>  <PubChem CID>
1222

>  <Formula>
C10H11NO4

>  <Molecular Weight>
209.201000

>  <IUPAC Name>
4-(1-amino-1-carboxyethyl)benzoic acid

>  <XlogP>
-2.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N

>  <Isomeric SMILES>
CC(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)

>  <InChI Key>
DNCAZYRLRMTVSF-UHFFFAOYSA-N

