2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid

C20H27NO3Si — CID 85354447

IUPAC2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)C(=O)O
InChIInChI=1S/C20H27NO3Si/c1-15(18(21)19(22)23)24-25(20(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,21H2,1-4H3,(H,22,23)
InChIKeyVWWPJZHACDRSFD-UHFFFAOYSA-N
MW357.53 g/mol
LogP2.36
Rot. Bonds6

About 2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid

2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid (PubChem CID 85354447) has the molecular formula C20H27NO3Si and a molecular weight of 357.53 g/mol. Its IUPAC name is 2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid.

Molecular Properties

Compound Name2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid
PubChem CID85354447
Molecular FormulaC20H27NO3Si
Molecular Weight357.53 g/mol
Exact Mass357.18
IUPAC Name2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)C(=O)O
InChIInChI=1S/C20H27NO3Si/c1-15(18(21)19(22)23)24-25(20(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,21H2,1-4H3,(H,22,23)
InChIKeyVWWPJZHACDRSFD-UHFFFAOYSA-N
XLogP2.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
The IUPAC name of 2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid (CID 85354447) is 2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid.
What is the SMILES notation for 2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
The canonical SMILES for 2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid is CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
The InChIKey is VWWPJZHACDRSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3Si/c1-15(18(21)19(22)23)24-25(20(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,21H2,1-4H3,(H,22,23).
What are the key properties of 2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid has a molecular weight of 357.53 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid is sourced from PubChem (CID 85354447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).