
 SCHEMBL3044147

 43 44  0  0  0  0  0  0  0  0999 V2000
    2.8422    6.4637    2.2277 C   0  0  0  0  0
    3.7226    5.7451    3.2500 C   0  0  0  0  0
    2.9044    5.4090    4.4976 C   0  0  0  0  0
    4.3567    4.4674    2.6756 C   0  0  0  0  0
    5.3421    4.7455    1.5412 C   0  0  0  0  0
    5.9691    3.5104    1.1814 O   0  0  0  0  0
    7.1986    3.6359    0.5922 C   0  0  0  0  0
    7.6258    4.7456   -0.1368 C   0  0  0  0  0
    8.9294    4.7948   -0.6352 C   0  0  0  0  0
    9.8163    3.7290   -0.4278 C   0  0  0  0  0
    9.3605    2.5940    0.2553 C   0  0  0  0  0
    8.0569    2.5484    0.7559 C   0  0  0  0  0
   11.2455    3.8226   -0.9179 C   0  0  0  0  0
   11.9826    4.9032   -0.2396 N   0  0  0  0  0
   12.4583    4.4822    1.1002 C   0  0  0  0  0
   13.8110    4.0754    0.4847 C   0  0  0  0  0
   13.3869    4.9570   -0.7038 C   0  0  0  0  0
   15.0952    4.4678    1.2412 C   0  0  0  0  0
   15.3532    5.5093    1.8281 O   0  0  0  0  0
   16.0378    3.4922    1.2307 O   0  0  0  0  0
    3.4306    6.8226    1.3776 H   0  0  0  0  0
    2.3583    7.3372    2.6776 H   0  0  0  0  0
    2.0578    5.8021    1.8446 H   0  0  0  0  0
    4.5245    6.4301    3.5529 H   0  0  0  0  0
    2.0835    4.7226    4.2634 H   0  0  0  0  0
    2.4745    6.3161    4.9367 H   0  0  0  0  0
    3.5342    4.9383    5.2607 H   0  0  0  0  0
    3.5816    3.7732    2.3249 H   0  0  0  0  0
    4.8904    3.9319    3.4729 H   0  0  0  0  0
    6.0798    5.4767    1.8946 H   0  0  0  0  0
    4.8192    5.1396    0.6638 H   0  0  0  0  0
    6.9706    5.5904   -0.3216 H   0  0  0  0  0
    9.2636    5.6819   -1.1700 H   0  0  0  0  0
   10.0198    1.7464    0.4230 H   0  0  0  0  0
    7.7174    1.6727    1.3030 H   0  0  0  0  0
   11.2056    4.0357   -1.9945 H   0  0  0  0  0
   11.7395    2.8468   -0.8223 H   0  0  0  0  0
   11.9081    3.6734    1.5921 H   0  0  0  0  0
   12.5166    5.3185    1.8082 H   0  0  0  0  0
   13.8251    3.0095    0.2133 H   0  0  0  0  0
   13.7999    5.9741   -0.6794 H   0  0  0  0  0
   13.5891    4.5406   -1.6968 H   0  0  0  0  0
   16.7788    3.8809    1.7415 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 17  1  0  0  0
 14 15  1  0  0  0
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 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3044147

>  <PubChem CID>
59451870

>  <Formula>
C16H23NO3

>  <Molecular Weight>
277.364000

>  <IUPAC Name>
1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxylic acid

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)CCOC1=CC=C(C=C1)CN2CC(C2)C(=O)O

>  <Isomeric SMILES>
CC(C)CCOC1=CC=C(C=C1)CN2CC(C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C16H23NO3/c1-12(2)7-8-20-15-5-3-13(4-6-15)9-17-10-14(11-17)16(18)19/h3-6,12,14H,7-11H2,1-2H3,(H,18,19)

>  <InChI Key>
DYYJMZJVDUIBGB-UHFFFAOYSA-N

