Chem 1 Boc 3 Hydroxyazetidine

Compound 34
  CheckMol                        TMF02:r0:m0
MF=C8H15NO3 MW=173.21
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3124   -0.7449   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6248    0.0118   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3242   -2.2347   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9373   -0.7331   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4002   -3.2870   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719   -3.2870   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2042   -2.0218   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2497   -1.4661   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6940    0.5794   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3479   -4.3393   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3597   -5.8290   -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
  3  5  1  0  0  0  0
  4  6  1  0  1  0  0
  4  7  1  0  1  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  1  0  0
 11 12  1  0  0  0  0
  7 11  1  0  1  0  0
M  END

1-Boc-3-Hydroxyazetidine

₹ 0.00 0.00

Chemical Name - 1-Boc-3-Hydroxyazetidine
Mol Weight - 173.211
Smiles - CC(C)(C)OC(N(C1)CC1O)=O

Property Name	Property Value
Mol Name	1-Boc-3-Hydroxyazetidine
Molweight	173.211
Monoisotopic Mass	173.105194
Clogp	0.8674
Clogs	-1.208
H Acceptors	4
H Donors	1
Total Surface Area	131.61
Relative Psa	0.30157
Polar Surface Area	49.77
Druglikeness	-31.274
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.50843
Molecular Complexity	0.51517
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	9
Symmetric Atoms	3
Amides	1
Smiles	CC(C)(C)OC(N(C1)CC1O)=O
InChIKey	InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h6,10H,4-5H2,1-3H3
InChI	XRRXRQJQQKMFBC-UHFFFAOYSA-N

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1-Boc-3-Hydroxyazetidine