methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate

C14H27N3O3Si — CID 11099031

IUPACmethyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C)[C@H](CC1CCCCC1)N=[N+]=[N-]
InChIInChI=1S/C14H27N3O3Si/c1-19-14(18)13(20-21(2,3)4)12(16-17-15)10-11-8-6-5-7-9-11/h11-13H,5-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyWELAQYVLTOVUFQ-STQMWFEESA-N
MW313.47 g/mol
LogP4.03
Rot. Bonds7

About methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate

methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate (PubChem CID 11099031) has the molecular formula C14H27N3O3Si and a molecular weight of 313.47 g/mol. Its IUPAC name is methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate
PubChem CID11099031
Molecular FormulaC14H27N3O3Si
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Namemethyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C)[C@H](CC1CCCCC1)N=[N+]=[N-]
InChIInChI=1S/C14H27N3O3Si/c1-19-14(18)13(20-21(2,3)4)12(16-17-15)10-11-8-6-5-7-9-11/h11-13H,5-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyWELAQYVLTOVUFQ-STQMWFEESA-N
XLogP4.03
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate with MolForge

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Related Compounds

methyl (2S,3S)-3-amino-2-azido-4-cyclohexylbutanoate;hydrochloride
CID 18631415
methyl (2S,3S)-2-azido-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 18631418
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol
CID 11009289
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
methyl 2-(cyclohexylmethyl)-3-hydroxy-3-methylbutanoate
CID 164683725
dimethyl 2-(cyclohexylmethyl)-4-prop-2-enylpentanedioate
CID 11098495
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 134952784
methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 122389974
methyl 3-cyclobutyl-2-fluoropropanoate
CID 105431407
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate?
The IUPAC name of methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate (CID 11099031) is methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate.
What is the SMILES notation for methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate?
The canonical SMILES for methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate is COC(=O)[C@@H](O[Si](C)(C)C)[C@H](CC1CCCCC1)N=[N+]=[N-].
What is the InChIKey of methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate?
The InChIKey is WELAQYVLTOVUFQ-STQMWFEESA-N. The full InChI is InChI=1S/C14H27N3O3Si/c1-19-14(18)13(20-21(2,3)4)12(16-17-15)10-11-8-6-5-7-9-11/h11-13H,5-10H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate?
methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate has a molecular weight of 313.47 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate is sourced from PubChem (CID 11099031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).