
 CHEMBL332141

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.2766   -1.5139    1.0195 C   0  0  0  0  0
   -0.1800   -1.9728    1.2036 C   0  0  0  0  0
   -0.5815   -0.9919    0.0654 C   0  0  0  0  0
    0.7199   -0.2120    0.4170 C   0  0  0  0  0
   -0.6168   -1.4885   -1.3883 C   0  0  0  0  0
   -1.9291   -2.1999   -1.8050 C   0  0  0  0  0
   -2.1391   -3.5060   -1.0571 C   0  0  0  0  0
   -2.7201   -4.7597   -1.6825 C   0  0  0  0  0
   -1.2582   -4.7242   -1.2973 C   0  0  0  0  0
   -0.7887   -5.5516   -0.1678 C   0  0  0  0  0
   -1.3532   -5.6499    0.9090 O   0  0  0  0  0
    0.3407   -6.2301   -0.4405 O   0  0  0  0  0
   -3.1375   -1.2357   -1.5973 C   0  0  0  0  0
   -3.8624   -1.1582   -0.6195 O   0  0  0  0  0
   -3.3362   -0.3988   -2.6460 O   0  0  0  0  0
   -1.7965   -2.4838   -3.2654 N   0  0  0  0  0
    1.8595   -1.4041    1.9372 H   0  0  0  0  0
    1.8456   -2.1246    0.3092 H   0  0  0  0  0
   -0.6034   -1.7013    2.1782 H   0  0  0  0  0
   -0.3461   -3.0362    1.0396 H   0  0  0  0  0
   -1.4711   -0.3979    0.3055 H   0  0  0  0  0
    1.2903    0.1997   -0.4201 H   0  0  0  0  0
    0.5676    0.5807    1.1593 H   0  0  0  0  0
    0.2412   -2.1474   -1.5768 H   0  0  0  0  0
   -0.4767   -0.6088   -2.0333 H   0  0  0  0  0
   -2.4473   -3.3152   -0.0305 H   0  0  0  0  0
   -2.9429   -4.8090   -2.7404 H   0  0  0  0  0
   -3.3966   -5.3527   -1.0745 H   0  0  0  0  0
   -0.5496   -4.6608   -2.1188 H   0  0  0  0  0
    0.5069   -6.7379    0.3802 H   0  0  0  0  0
   -4.1086    0.1367   -2.3655 H   0  0  0  0  0
   -1.7054   -1.5785   -3.7357 H   0  0  0  0  0
   -2.6959   -2.8313   -3.5985 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 21  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 16  1  0  0  0
  6 13  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 30  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 31  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL332141

>  <PubChem CID>
44345546

>  <Formula>
C11H17NO4

>  <Molecular Weight>
227.260000

>  <IUPAC Name>
(1S)-2-[(1R)-1-amino-1-carboxy-2-cyclobutylethyl]cyclopropane-1-carboxylic acid

>  <XlogP>
-1.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C1)CC(C2CC2C(=O)O)(C(=O)O)N

>  <Isomeric SMILES>
C1CC(C1)C[C@@](C2C[C@@H]2C(=O)O)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C11H17NO4/c12-11(10(15)16,5-6-2-1-3-6)8-4-7(8)9(13)14/h6-8H,1-5,12H2,(H,13,14)(H,15,16)/t7-,8?,11+/m0/s1

>  <InChI Key>
FRMQZSOWTABKHV-MUWNOXIOSA-N

