methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate

C8H17N3O3Si — CID 11148952

IUPACmethyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate
SMILESCOC(=O)[C@@H](N=[N+]=[N-])[C@@H](C)O[Si](C)(C)C
InChIInChI=1S/C8H17N3O3Si/c1-6(14-15(3,4)5)7(10-11-9)8(12)13-2/h6-7H,1-5H3/t6-,7+/m1/s1
InChIKeyCEVJDFUNEMRPEH-RQJHMYQMSA-N
MW231.33 g/mol
LogP2.08
Rot. Bonds5

About methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate

methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate (PubChem CID 11148952) has the molecular formula C8H17N3O3Si and a molecular weight of 231.33 g/mol. Its IUPAC name is methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate
PubChem CID11148952
Molecular FormulaC8H17N3O3Si
Molecular Weight231.33 g/mol
Exact Mass231.10
IUPAC Namemethyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate
SMILESCOC(=O)[C@@H](N=[N+]=[N-])[C@@H](C)O[Si](C)(C)C
InChIInChI=1S/C8H17N3O3Si/c1-6(14-15(3,4)5)7(10-11-9)8(12)13-2/h6-7H,1-5H3/t6-,7+/m1/s1
InChIKeyCEVJDFUNEMRPEH-RQJHMYQMSA-N
XLogP2.08
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 52.08
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'}

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Related Compounds

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CID 57194503
methyl (2S)-2-azido-3-methylpentanoate
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dimethyl (2S,3R)-2-azido-3-(methoxycarbonylamino)butanedioate
CID 10753806
dimethyl (2R,3S)-2-acetamido-3-azidobutanedioate
CID 10490460
methyl (2R,3R)-2-thiocyanato-3-trimethylsilyloxybutanoate
CID 102067911
methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate
CID 15138856
methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate
CID 11099031
methyl 3-azido-2-(butan-2-ylamino)propanoate
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ethyl (2S)-2-azidopropanoate
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methyl (2S,3S)-3-amino-2-azido-4-cyclohexylbutanoate;hydrochloride
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dimethyl (2S)-2-azidobutanedioate
CID 165151832

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate?
The IUPAC name of methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate (CID 11148952) is methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate.
What is the SMILES notation for methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate?
The canonical SMILES for methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate is COC(=O)[C@@H](N=[N+]=[N-])[C@@H](C)O[Si](C)(C)C.
What is the InChIKey of methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate?
The InChIKey is CEVJDFUNEMRPEH-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H17N3O3Si/c1-6(14-15(3,4)5)7(10-11-9)8(12)13-2/h6-7H,1-5H3/t6-,7+/m1/s1.
What are the key properties of methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate?
methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate has a molecular weight of 231.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-azido-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 11148952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).