Compound 33
  CheckMol                        TMF02:r0:m0
MF=C5H10N2O3 MW=146.15
 10  9  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4946   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -2.2418   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2810   -2.2418   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692   -3.7364   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5739   -1.4827   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8669   -2.2300   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1598   -1.4708   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1479    0.0474   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4527   -2.2181   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END

2D Structure

L-glutamine

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Chemical Name - L-glutamine
Mol Weight - 146.145
Smiles - N[C@@H](CCC(N)=O)C(O)=O

Property Name	Property Value
Mol Name	L-glutamine
Molweight	146.145
Monoisotopic Mass	146.069143
Clogp	-3.7564
Clogs	-0.497
H Acceptors	5
H Donors	3
Total Surface Area	112.41
Relative Psa	0.62023
Polar Surface Area	106.41
Druglikeness	-17.946
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.67279
Molecular Complexity	0.62123
Fragments	1
Non H Atoms	10
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	1
Rotatable Bonds	4
Sp3 Atoms	5
Amides	1
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	N[C@@H](CCC(N)=O)C(O)=O
InChIKey	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChI	ZDXPYRJPNDTMRX-VKHMYHEASA-N

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1 — L-glutamine | 2 — L-glutamine