Compound 245
  CheckMol                        TMF02:r0:m0
MF=C5H9NO4 MW=147.13
 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
    6.4527   -2.2181   -0.0000 O   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
  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-Glutamic Acid

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Chemical Name - L-Glutamic Acid
Mol Weight - 147.129
Smiles - N[C@@H](CCC(O)=O)C(O)=O

Property Name	Property Value
Mol Name	L-Glutamic Acid
Molweight	147.129
Monoisotopic Mass	147.053159
Clogp	-3.3586
Clogs	-0.421
H Acceptors	5
H Donors	3
Total Surface Area	110.24
Relative Psa	0.61275
Polar Surface Area	100.62
Druglikeness	-18.651
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.73181
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	6
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Acidic Oxygens	2
Smiles	N[C@@H](CCC(O)=O)C(O)=O
InChIKey	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChI	WHUUTDBJXJRKMK-VKHMYHEASA-N

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1 — L-Glutamic Acid | 2 — L-Glutamic Acid