(S)-1-Boc-2-azetidinemethanol

Formula:C9H17NO3 CAS:161511-85-9 ChemrytIQ

PropertyValue
Casrn161511-85-9
MolName(S)-1-Boc-2-azetidinemethanol
MolecularFormulaC9H17NO3
SmilesCC(C)(C)OC(N1[C@H](CO)CC1)=O
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m0/s1
InChIKXIRUXUKRGUFEKC-ZETCQYMHSA-N
CanonicalSyTyLFy7ab908290bc37256
TotalMolweight187.238
Molweight187.238
MonoisotopicMass187.120844
CLogP1.1175
CLogS-1.478
H Acceptors4
H Donors1
TotalSurfaceArea145.37
Relative PSA0.27303
PolarSurfaceArea49.77
Druglikeness-34.357
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61538
Molecula Flexibility0.56436
Molecular Complexity0.60182
Fragments1
Non HAtoms13
NonCHAtoms4
Electronegative Atoms4
StereoCenters1
Rotatable Bond3
Rings Closures1
Small Rings1
Sp3Atoms10
Symmetricatoms2
Amides1
StereoConthis enantiomer
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
100020-83-5nonenonelowC7H11O3B153.972-20.814 ChemrytIQ
1000-83-5lowhighhighC2H6N2OS106.149-2.264 ChemrytIQ
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988 ChemrytIQ
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545 ChemrytIQ
100-57-2highlowlowC6H6OHg294.703-2.3891 ChemrytIQ
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762 ChemrytIQ
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858 ChemrytIQ
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100031-88-7nonenonehighC10H30O3Si4310.689-53.619 ChemrytIQ
100-17-4nonenonenoneC7H7NO3153.137-7.2945 ChemrytIQ
1000284-53-6nonenonehighC18H36O2284.482-15.583 ChemrytIQ
1000304-40-4nonenonenoneC11H17NO179.2622.2651 ChemrytIQ
100-47-0highnonehighC7H5N103.124-6.0498 ChemrytIQ
100-65-2highnonenoneC6H7NO109.128-1.548 ChemrytIQ
1000-78-8highlownoneC11H24N2184.326-10.254 ChemrytIQ
100-28-7highlowlowC7H4N2O3164.12-21.552 ChemrytIQ
10-13-2009nonenonenoneC15H14O5274.271-1.4702 ChemrytIQ
100007-54-3nonenonenoneC28H30O13574.533-1.9839 ChemrytIQ
100017-22-9highhighhighC5H8O2100.117-8.1063 ChemrytIQ
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322 ChemrytIQ
10001-43-1nonenonenoneC15H18N6O2314.3484.1828 ChemrytIQ
100-81-2nonenonenoneC8H11N121.182-2.1005 ChemrytIQ
1000-58-4highhighhighC4H8Cl4Si226.006-54.611 ChemrytIQ
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883 ChemrytIQ
100013-07-8nonenonenoneC18H32B.Li259.263-11.013 ChemrytIQ
100011-01-6nonenonenoneC9H18O2158.24-2.3462 ChemrytIQ
1000269-68-0nonenonenoneC14H24N4248.3730.99367 ChemrytIQ
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242 ChemrytIQ
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179 ChemrytIQ
100-54-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926 ChemrytIQ
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412 ChemrytIQ
1000-46-0nonenonenoneC7H18Ge174.83-4.6976 ChemrytIQ
1000-22-2lowhighlowC6H14O2FPS200.213-11.052 ChemrytIQ
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405 ChemrytIQ
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949 ChemrytIQ
1000339-33-2nonenonenoneC10H11NClF199.6550.76 ChemrytIQ
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75 ChemrytIQ
100005-44-5highnonelowC7H5O2ClS188.634-11.771 ChemrytIQ
1000-84-6nonenonehighC4H9NO87.1215-6.3779 ChemrytIQ
100033-28-1lownonehighC6H9N7179.186-2.3035 ChemrytIQ
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411 ChemrytIQ
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285 ChemrytIQ
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078 ChemrytIQ
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
017257-81-7nonenonenoneC6H10O2114.1430.9106 ChemrytIQ
100-66-3highnonehighC7H8O108.14-2.0846 ChemrytIQ
100-49-2nonenonenoneC7H14O114.187-9.3679 ChemrytIQ
100-55-0nonenonenoneC6H7NO109.128-1.9045 ChemrytIQ
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78 ChemrytIQ
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885 ChemrytIQ
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371 ChemrytIQ
1000-57-3highnonelowC6H16SSn238.969-7.4261 ChemrytIQ
1000018-39-2highhighlowC13H20N2O2S268.381.9315 ChemrytIQ
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449 ChemrytIQ
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815 ChemrytIQ
1000-30-2nonenonehighC9H16O140.225-7.4662 ChemrytIQ
1000-28-8nonenonenoneC6H3OF11300.067-44.343 ChemrytIQ
1000-69-7highnonelowC7H18SSn252.996-9.6969 ChemrytIQ
1000198-80-0nonenonenoneC11H14NF179.237-0.04876 ChemrytIQ