(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol

C22H33NO2Si — CID 11122256

IUPAC(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H33NO2Si/c1-17(25-26(5,6)21(2,3)4)20(23)22(24,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20,24H,23H2,1-6H3/t17-,20+/m1/s1
InChIKeyNJZDRPOVCSFNQH-XLIONFOSSA-N
MW371.60 g/mol
LogP4.66
Rot. Bonds6

About (2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol

(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol (PubChem CID 11122256) has the molecular formula C22H33NO2Si and a molecular weight of 371.60 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol
PubChem CID11122256
Molecular FormulaC22H33NO2Si
Molecular Weight371.60 g/mol
Exact Mass371.23
IUPAC Name(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H33NO2Si/c1-17(25-26(5,6)21(2,3)4)20(23)22(24,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20,24H,23H2,1-6H3/t17-,20+/m1/s1
InChIKeyNJZDRPOVCSFNQH-XLIONFOSSA-N
XLogP4.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.60
LogP ≤ 54.66
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 (2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol?
The IUPAC name of (2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol (CID 11122256) is (2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol.
What is the SMILES notation for (2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol?
The canonical SMILES for (2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol?
The InChIKey is NJZDRPOVCSFNQH-XLIONFOSSA-N. The full InChI is InChI=1S/C22H33NO2Si/c1-17(25-26(5,6)21(2,3)4)20(23)22(24,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20,24H,23H2,1-6H3/t17-,20+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol?
(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol has a molecular weight of 371.60 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 11122256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).