tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane

C86H160N12O16Si — CID 161408606

IUPACtert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane
SMILESC.C.C.CC(C)(C)OC(=O)N[C@H](CN)C[C@H]1CCCOC1.CC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])C[C@H]1CCCOC1.CC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])C[C@H]1CCCOC1.CC(C)(C)OC(=O)N[C@H](CO)C[C@H]1CCCOC1.CCCC[C@@H](CC)C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C31H49NO3Si.2C13H24N4O3.C13H26N2O3.C13H25NO4.3CH4/c1-9-11-18-25(10-2)23-26(32-29(33)35-30(3,4)5)24-34-36(31(6,7)8,27-19-14-12-15-20-27)28-21-16-13-17-22-28;2*1-13(2,3)20-12(18)16-11(8-15-17-14)7-10-5-4-6-19-9-10;1-13(2,3)18-12(16)15-11(8-14)7-10-5-4-6-17-9-10;1-13(2,3)18-12(16)14-11(8-15)7-10-5-4-6-17-9-10;;;/h12-17,19-22,25-26H,9-11,18,23-24H2,1-8H3,(H,32,33);2*10-11H,4-9H2,1-3H3,(H,16,18);10-11H,4-9,14H2,1-3H3,(H,15,16);10-11,15H,4-9H2,1-3H3,(H,14,16);3*1H4/t25-,26+;4*10-,11+;;;/m11111.../s1
InChIKeyVVEGDUBKMQKWOF-RNZILXASSA-N
MW1646.38 g/mol
LogP18.33
Rot. Bonds30

About tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane

tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane (PubChem CID 161408606) has the molecular formula C86H160N12O16Si and a molecular weight of 1646.38 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane
PubChem CID161408606
Molecular FormulaC86H160N12O16Si
Molecular Weight1646.38 g/mol
Exact Mass1645.18
IUPAC Nametert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane
SMILESC.C.C.CC(C)(C)OC(=O)N[C@H](CN)C[C@H]1CCCOC1.CC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])C[C@H]1CCCOC1.CC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])C[C@H]1CCCOC1.CC(C)(C)OC(=O)N[C@H](CO)C[C@H]1CCCOC1.CCCC[C@@H](CC)C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C31H49NO3Si.2C13H24N4O3.C13H26N2O3.C13H25NO4.3CH4/c1-9-11-18-25(10-2)23-26(32-29(33)35-30(3,4)5)24-34-36(31(6,7)8,27-19-14-12-15-20-27)28-21-16-13-17-22-28;2*1-13(2,3)20-12(18)16-11(8-15-17-14)7-10-5-4-6-19-9-10;1-13(2,3)18-12(16)15-11(8-14)7-10-5-4-6-17-9-10;1-13(2,3)18-12(16)14-11(8-15)7-10-5-4-6-17-9-10;;;/h12-17,19-22,25-26H,9-11,18,23-24H2,1-8H3,(H,32,33);2*10-11H,4-9H2,1-3H3,(H,16,18);10-11H,4-9,14H2,1-3H3,(H,15,16);10-11,15H,4-9H2,1-3H3,(H,14,16);3*1H4/t25-,26+;4*10-,11+;;;/m11111.../s1
InChIKeyVVEGDUBKMQKWOF-RNZILXASSA-N
XLogP18.33
TPSA381.57 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001646.38
LogP ≤ 518.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane with MolForge

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Launch Full Analysis

Related Compounds

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tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-3-yl)propanoate
CID 169233574
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5R)-2-oxo-5-tetradecyl-1,3,2-dioxathiolan-4-yl]ethyl]carbamate
CID 51032558
tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate
CID 157218983
tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate
CID 11432569
tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate
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9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane?
The IUPAC name of tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane (CID 161408606) is tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane.
What is the SMILES notation for tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane?
The canonical SMILES for tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane is C.C.C.CC(C)(C)OC(=O)N[C@H](CN)C[C@H]1CCCOC1.CC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])C[C@H]1CCCOC1.CC(C)(C)OC(=O)N[C@H](CN=[N+]=[N-])C[C@H]1CCCOC1.CC(C)(C)OC(=O)N[C@H](CO)C[C@H]1CCCOC1.CCCC[C@@H](CC)C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane?
The InChIKey is VVEGDUBKMQKWOF-RNZILXASSA-N. The full InChI is InChI=1S/C31H49NO3Si.2C13H24N4O3.C13H26N2O3.C13H25NO4.3CH4/c1-9-11-18-25(10-2)23-26(32-29(33)35-30(3,4)5)24-34-36(31(6,7)8,27-19-14-12-15-20-27)28-21-16-13-17-22-28;2*1-13(2,3)20-12(18)16-11(8-15-17-14)7-10-5-4-6-19-9-10;1-13(2,3)18-12(16)15-11(8-14)7-10-5-4-6-17-9-10;1-13(2,3)18-12(16)14-11(8-15)7-10-5-4-6-17-9-10;;;/h12-17,19-22,25-26H,9-11,18,23-24H2,1-8H3,(H,32,33);2*10-11H,4-9H2,1-3H3,(H,16,18);10-11H,4-9,14H2,1-3H3,(H,15,16);10-11,15H,4-9H2,1-3H3,(H,14,16);3*1H4/t25-,26+;4*10-,11+;;;/m11111.../s1.
What are the key properties of tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane?
tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane has a molecular weight of 1646.38 g/mol, XLogP of 18.33, 30 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-azido-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate);tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyloctan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate;methane is sourced from PubChem (CID 161408606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).