methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate

C21H29NO4Si — CID 54425566

IUPACmethyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate
SMILESCOC(=O)[C@@H](N)[C@@H](C)O[Si](OC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO4Si/c1-16(19(22)20(23)24-5)25-27(26-21(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,19H,22H2,1-5H3/t16-,19+/m1/s1
InChIKeyWDVIDNWQBZVDLI-APWZRJJASA-N
MW387.55 g/mol
LogP1.96
Rot. Bonds7

About methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate

methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate (PubChem CID 54425566) has the molecular formula C21H29NO4Si and a molecular weight of 387.55 g/mol. Its IUPAC name is methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate
PubChem CID54425566
Molecular FormulaC21H29NO4Si
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC Namemethyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate
SMILESCOC(=O)[C@@H](N)[C@@H](C)O[Si](OC(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO4Si/c1-16(19(22)20(23)24-5)25-27(26-21(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,19H,22H2,1-5H3/t16-,19+/m1/s1
InChIKeyWDVIDNWQBZVDLI-APWZRJJASA-N
XLogP1.96
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate?
The IUPAC name of methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate (CID 54425566) is methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate.
What is the SMILES notation for methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate?
The canonical SMILES for methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate is COC(=O)[C@@H](N)[C@@H](C)O[Si](OC(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate?
The InChIKey is WDVIDNWQBZVDLI-APWZRJJASA-N. The full InChI is InChI=1S/C21H29NO4Si/c1-16(19(22)20(23)24-5)25-27(26-21(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,19H,22H2,1-5H3/t16-,19+/m1/s1.
What are the key properties of methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate?
methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate has a molecular weight of 387.55 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate is sourced from PubChem (CID 54425566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).