[tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate

C20H27NO3Si — CID 123502063

IUPAC[tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate
SMILESC[C@@H](O)[C@@H](N)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H27NO3Si/c1-15(22)18(21)19(23)24-25(20(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18,22H,21H2,1-4H3/t15-,18-/m1/s1
InChIKeyDWHAOVLESHWSSX-CRAIPNDOSA-N
MW357.53 g/mol
LogP1.80
Rot. Bonds5

About [tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate

[tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate (PubChem CID 123502063) has the molecular formula C20H27NO3Si and a molecular weight of 357.53 g/mol. Its IUPAC name is [tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Name[tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate
PubChem CID123502063
Molecular FormulaC20H27NO3Si
Molecular Weight357.53 g/mol
Exact Mass357.18
IUPAC Name[tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate
SMILESC[C@@H](O)[C@@H](N)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H27NO3Si/c1-15(22)18(21)19(23)24-25(20(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18,22H,21H2,1-4H3/t15-,18-/m1/s1
InChIKeyDWHAOVLESHWSSX-CRAIPNDOSA-N
XLogP1.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate?
The IUPAC name of [tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate (CID 123502063) is [tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate.
What is the SMILES notation for [tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate?
The canonical SMILES for [tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate is C[C@@H](O)[C@@H](N)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate?
The InChIKey is DWHAOVLESHWSSX-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H27NO3Si/c1-15(22)18(21)19(23)24-25(20(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18,22H,21H2,1-4H3/t15-,18-/m1/s1.
What are the key properties of [tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate?
[tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate has a molecular weight of 357.53 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(diphenyl)silyl] (2R,3R)-2-amino-3-hydroxybutanoate is sourced from PubChem (CID 123502063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).