Chem L Proline Benzyl Ester Hydrochloride

Compound 12
  CheckMol                        TMF02:r0:m0
MF=C12H16ClNO2 MW=241.72
 16 16  0  2  1               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.6621    2.1757   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2550    1.6672   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0067    0.2010   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1081    2.6486   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5996   -0.3074   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6537    2.2939   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2263    4.1621   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3513   -1.7736   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8733    3.5828   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8429    4.7415   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5219   -2.7314   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9442   -2.2821   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2736   -4.1976   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6959   -3.7483   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8665   -4.7061   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  6  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  1  0  0
  5  8  1  0  1  0  0
  6  9  1  0  0  0  0
  7 10  1  0  1  0  0
  8 11  1  0  1  0  0
  9 12 02  0  1  0  0
  9 13 01  0  1  0  0
 12 14 01  0  1  0  0
 13 15 02  0  1  0  0
 14 16 02  0  1  0  0
 10 11  1  0  1  0  0
 15 16 01  0  1  0  0
M  END

L-proline benzyl ester hydrochloride

₹ 0.00 0.00

Chemical Name - L-proline benzyl ester hydrochloride
Mol Weight - 205.256
Smiles - O=C([C@H]1NCCC1)OCc1ccccc1.Cl

Property Name	Property Value
Mol Name	L-proline benzyl ester hydrochloride
Molweight	205.256
Monoisotopic Mass	205.110279
Clogp	1.2969
Clogs	-2.159
H Acceptors	3
H Donors	1
Total Surface Area	166.51
Relative Psa	0.20719
Polar Surface Area	38.33
Druglikeness	-1.425
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.42935
Molecular Complexity	0.54381
Fragments	2
Non H Atoms	15
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	O=C([C@H]1NCCC1)OCc1ccccc1.Cl
InChIKey	InChI=1S/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H/t11-;/m0./s1
InChI	NEDMOHHWRPHBAL-MERQFXBCSA-N

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L-proline benzyl ester hydrochloride