methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate

C21H29NO3Si — CID 10809249

IUPACmethyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate
SMILESCOC(=O)[C@@H](N)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29NO3Si/c1-16(19(22)20(23)24-5)25-26(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
InChIKeyFXKJJLARAQPLMG-APWZRJJASA-N
MW371.55 g/mol
LogP2.45
Rot. Bonds6

About methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate

methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate (PubChem CID 10809249) has the molecular formula C21H29NO3Si and a molecular weight of 371.55 g/mol. Its IUPAC name is methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate
PubChem CID10809249
Molecular FormulaC21H29NO3Si
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Namemethyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate
SMILESCOC(=O)[C@@H](N)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29NO3Si/c1-16(19(22)20(23)24-5)25-26(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
InChIKeyFXKJJLARAQPLMG-APWZRJJASA-N
XLogP2.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid
CID 10981189
Methyl O-[tert-butyl(diphenyl)silyl]serinate
CID 11210526
(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid
CID 16753285
methyl (E,2R,3R)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 11334911
methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 91978338
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethoxybutan-2-amine
CID 11784029
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid methyl ester
CID 10719205
methyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy-diphenylsilyl]oxybutanoate
CID 54425566
methyl (2S,3R)-2-(aminomethyl)-3-triphenylsilyloxybutanoate
CID 57124254
Methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-isocyanobutanoate
CID 57754911
[(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-yl] dodecanoate
CID 60128683
Methyl 2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 68565441

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate?
The IUPAC name of methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate (CID 10809249) is methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate.
What is the SMILES notation for methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate?
The canonical SMILES for methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate is COC(=O)[C@@H](N)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate?
The InChIKey is FXKJJLARAQPLMG-APWZRJJASA-N. The full InChI is InChI=1S/C21H29NO3Si/c1-16(19(22)20(23)24-5)25-26(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-[tert-butyl(diphenyl)silyl]oxybutanoate?
methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate has a molecular weight of 371.55 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoate is sourced from PubChem (CID 10809249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).