
 6-(cyclobutylamino)nicotinic acid

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.8680   -1.3343   -0.5114 C   0  0  0  0  0
    0.1052   -0.6299    0.6283 C   0  0  0  0  0
   -0.7516    0.0803   -0.4440 C   0  0  0  0  0
    0.3793   -0.2180   -1.4538 C   0  0  0  0  0
   -1.9577   -0.6212   -0.7260 N   0  0  0  0  0
   -2.9675   -0.3013   -1.6260 C   0  0  0  0  0
   -3.9030   -1.2545   -1.8150 N   0  0  0  0  0
   -4.9326   -0.9753   -2.6551 C   0  0  0  0  0
   -5.0753    0.2237   -3.3323 C   0  0  0  0  0
   -4.0968    1.1958   -3.1384 C   0  0  0  0  0
   -3.0345    0.9294   -2.2726 C   0  0  0  0  0
   -6.2453    0.4118   -4.2075 C   0  0  0  0  0
   -7.1221   -0.4076   -4.4082 O   0  0  0  0  0
   -6.2690    1.6239   -4.7898 O   0  0  0  0  0
    1.9506   -1.4055   -0.3825 H   0  0  0  0  0
    0.4726   -2.3260   -0.7600 H   0  0  0  0  0
    0.7295    0.0595    1.2096 H   0  0  0  0  0
   -0.4179   -1.2920    1.3246 H   0  0  0  0  0
   -0.9284    1.1400   -0.2357 H   0  0  0  0  0
    0.0810   -0.5446   -2.4543 H   0  0  0  0  0
    1.0920    0.6087   -1.5575 H   0  0  0  0  0
   -2.0370   -1.5932   -0.4435 H   0  0  0  0  0
   -5.6616   -1.7755   -2.7612 H   0  0  0  0  0
   -4.1517    2.1565   -3.6433 H   0  0  0  0  0
   -2.2742    1.6855   -2.1109 H   0  0  0  0  0
   -7.0892    1.6158   -5.3270 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 19  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 24  1  0  0  0
 11 25  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 26  1  0  0  0
M  END

>  <Chemical Name>
6-(cyclobutylamino)nicotinic acid

>  <PubChem CID>
44434380

>  <Formula>
C10H12N2O2

>  <Molecular Weight>
192.218000

>  <IUPAC Name>
6-(cyclobutylamino)pyridine-3-carboxylic acid

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C1)NC2=NC=C(C=C2)C(=O)O

>  <Isomeric SMILES>
C1CC(C1)NC2=NC=C(C=C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C10H12N2O2/c13-10(14)7-4-5-9(11-6-7)12-8-2-1-3-8/h4-6,8H,1-3H2,(H,11,12)(H,13,14)

>  <InChI Key>
LZWLZLRNQVXTNI-UHFFFAOYSA-N

