
 (1S,3R)-ACPD

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.7777   -1.0619   -0.0713 C   0  0  0  0  0
   -1.1984    0.3504    0.3249 C   0  0  0  0  0
   -0.0508    1.2516   -0.1388 C   0  0  0  0  0
    1.1809    0.3977    0.1919 C   0  0  0  0  0
    0.7547   -1.0576   -0.0571 C   0  0  0  0  0
    1.2872   -1.5761   -1.3698 C   0  0  0  0  0
    1.4815   -0.9239   -2.3825 O   0  0  0  0  0
    1.4970   -2.9051   -1.3518 O   0  0  0  0  0
   -0.0018    2.5742    0.6450 C   0  0  0  0  0
   -0.4393    2.7869    1.7644 O   0  0  0  0  0
    0.6838    3.5441   -0.0073 O   0  0  0  0  0
   -0.1675    1.5147   -1.5912 N   0  0  0  0  0
   -1.1812   -1.7989    0.6310 H   0  0  0  0  0
   -1.1761   -1.3101   -1.0625 H   0  0  0  0  0
   -1.3206    0.3973    1.4146 H   0  0  0  0  0
   -2.1649    0.6257   -0.1121 H   0  0  0  0  0
    2.0656    0.6984   -0.3820 H   0  0  0  0  0
    1.4459    0.5165    1.2514 H   0  0  0  0  0
    1.1523   -1.6870    0.7480 H   0  0  0  0  0
    1.8031   -3.1192   -2.2582 H   0  0  0  0  0
    0.6299    4.3112    0.6000 H   0  0  0  0  0
    0.2053    0.7280   -2.1314 H   0  0  0  0  0
    0.4612    2.2938   -1.8121 H   0  0  0  0  0
  1  5  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 15  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 20  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
 12 23  1  0  0  0
M  END

>  <Chemical Name>
(1S,3R)-ACPD

>  <PubChem CID>
104766

>  <Formula>
C7H11NO4

>  <Molecular Weight>
173.168000

>  <IUPAC Name>
(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid

>  <XlogP>
-3.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(CC1C(=O)O)(C(=O)O)N

>  <Isomeric SMILES>
C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1

>  <InChI Key>
YFYNOWXBIBKGHB-FBCQKBJTSA-N

