
 MCCG-I

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.1387   -0.9211   -0.3626 C   0  0  0  0  0
    2.4691   -0.1975   -0.1144 C   0  0  0  0  0
    3.1314   -0.7371    1.1390 C   0  0  0  0  0
    3.8429    0.1170    2.1691 C   0  0  0  0  0
    2.5187   -0.5256    2.5161 C   0  0  0  0  0
    2.4655   -1.6492    3.4729 C   0  0  0  0  0
    3.3308   -2.5006    3.6008 O   0  0  0  0  0
    1.3434   -1.6622    4.2152 O   0  0  0  0  0
    3.3596   -0.4470   -1.3651 C   0  0  0  0  0
    4.0395   -1.4342   -1.5978 O   0  0  0  0  0
    3.2896    0.5479   -2.2828 O   0  0  0  0  0
    2.1820    1.2517    0.0231 N   0  0  0  0  0
    0.6664   -0.5887   -1.2949 H   0  0  0  0  0
    0.4270   -0.7522    0.4540 H   0  0  0  0  0
    1.2905   -2.0040   -0.4437 H   0  0  0  0  0
    3.5544   -1.7242    0.9547 H   0  0  0  0  0
    3.8530    1.1961    2.0837 H   0  0  0  0  0
    4.7435   -0.2879    2.6199 H   0  0  0  0  0
    1.6673    0.1469    2.5765 H   0  0  0  0  0
    1.4576   -2.4474    4.7886 H   0  0  0  0  0
    3.8706    0.2292   -3.0066 H   0  0  0  0  0
    1.7777    1.5624   -0.8646 H   0  0  0  0  0
    3.0764    1.7423    0.0577 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2 12  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3 16  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>
MCCG-I

>  <PubChem CID>
5311457

>  <Formula>
C7H11NO4

>  <Molecular Weight>
173.168000

>  <IUPAC Name>
(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid

>  <XlogP>
-3.300

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1CC1C(=O)O)(C(=O)O)N

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

>  <InChI Std. ID>
InChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4-,7-/m0/s1

>  <InChI Key>
KFACHLANPCGTFI-FVSJBQLASA-N

