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

C11H25NO3Si — CID 10879449

IUPACmethyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCOC(=O)[C@H](N)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25NO3Si/c1-8(9(12)10(13)14-5)15-16(6,7)11(2,3)4/h8-9H,12H2,1-7H3/t8-,9+/m0/s1
InChIKeyZYWGWHMIMFCVAU-DTWKUNHWSA-N
MW247.41 g/mol
LogP1.90
Rot. Bonds4

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

methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate (PubChem CID 10879449) has the molecular formula C11H25NO3Si and a molecular weight of 247.41 g/mol. Its IUPAC name is methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
PubChem CID10879449
Molecular FormulaC11H25NO3Si
Molecular Weight247.41 g/mol
Exact Mass247.16
IUPAC Namemethyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCOC(=O)[C@H](N)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25NO3Si/c1-8(9(12)10(13)14-5)15-16(6,7)11(2,3)4/h8-9H,12H2,1-7H3/t8-,9+/m0/s1
InChIKeyZYWGWHMIMFCVAU-DTWKUNHWSA-N
XLogP1.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 51.90
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

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropanoylamino)butanoate
CID 142596258
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
CID 15632284
methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
CID 122377254
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 154680481
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The IUPAC name of methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate (CID 10879449) is methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate.
What is the SMILES notation for methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The canonical SMILES for methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate is COC(=O)[C@H](N)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The InChIKey is ZYWGWHMIMFCVAU-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H25NO3Si/c1-8(9(12)10(13)14-5)15-16(6,7)11(2,3)4/h8-9H,12H2,1-7H3/t8-,9+/m0/s1.
What are the key properties of methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate has a molecular weight of 247.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate is sourced from PubChem (CID 10879449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).