
 Cyclopropaneacetic acid, alpha-amino-2-carboxy-, (alphaS,1R,2R)-

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.3258    0.8997   -0.0639 C   0  0  0  0  0
   -0.5911   -0.2967   -0.1611 C   0  0  0  0  0
    0.8305   -0.4640    0.3429 C   0  0  0  0  0
    1.0781   -0.7783    1.7641 C   0  0  0  0  0
    0.3979   -0.3825    2.6974 O   0  0  0  0  0
    2.1592   -1.5566    1.9495 O   0  0  0  0  0
   -0.9870   -0.8649   -1.4947 C   0  0  0  0  0
   -1.7253   -2.2093   -1.3695 C   0  0  0  0  0
   -1.5545   -3.0639   -0.5149 O   0  0  0  0  0
   -2.6104   -2.4244   -2.3721 O   0  0  0  0  0
   -1.8304    0.1444   -2.1684 N   0  0  0  0  0
    0.7039    1.3334   -0.9827 H   0  0  0  0  0
    0.1149    1.6285    0.7118 H   0  0  0  0  0
   -1.3967   -0.3539    0.5658 H   0  0  0  0  0
    1.5454   -0.9213   -0.3353 H   0  0  0  0  0
    2.1895   -1.6806    2.9207 H   0  0  0  0  0
   -0.1061   -1.0454   -2.1215 H   0  0  0  0  0
   -2.9776   -3.3115   -2.1715 H   0  0  0  0  0
   -2.6529    0.3177   -1.5912 H   0  0  0  0  0
   -2.1999   -0.2961   -3.0152 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 14  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 16  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 18  1  0  0  0
 11 19  1  0  0  0
 11 20  1  0  0  0
M  END

>  <Chemical Name>
Cyclopropaneacetic acid, alpha-amino-2-carboxy-, (alphaS,1R,2R)-

>  <PubChem CID>
13798555

>  <Formula>
C6H9NO4

>  <Molecular Weight>
159.141000

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

>  <XlogP>
-3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(C1C(=O)O)C(C(=O)O)N

>  <Isomeric SMILES>
C1[C@H]([C@@H]1C(=O)O)[C@@H](C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4+/m1/s1

>  <InChI Key>
GZOVEPYOCJWRFC-JJYYJPOSSA-N

