tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate

C28H44N2O3Si — CID 175625663

IUPACtert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate
SMILESC[C@@H](CN)CC(CNC(=O)OC(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H44N2O3Si/c1-22(19-29)18-23(20-30-26(31)33-27(2,3)4)21-32-34(28(5,6)7,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23H,18-21,29H2,1-7H3,(H,30,31)/t22-,23?/m1/s1
InChIKeyDZDUEWUZXLHEOI-WTQRLHSKSA-N
MW484.76 g/mol
LogP4.69
Rot. Bonds10

About tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate

tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate (PubChem CID 175625663) has the molecular formula C28H44N2O3Si and a molecular weight of 484.76 g/mol. Its IUPAC name is tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate
PubChem CID175625663
Molecular FormulaC28H44N2O3Si
Molecular Weight484.76 g/mol
Exact Mass484.31
IUPAC Nametert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate
SMILESC[C@@H](CN)CC(CNC(=O)OC(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H44N2O3Si/c1-22(19-29)18-23(20-30-26(31)33-27(2,3)4)21-32-34(28(5,6)7,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23H,18-21,29H2,1-7H3,(H,30,31)/t22-,23?/m1/s1
InChIKeyDZDUEWUZXLHEOI-WTQRLHSKSA-N
XLogP4.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.76
LogP ≤ 54.69
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 N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate (CID 175625663) is tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate is C[C@@H](CN)CC(CNC(=O)OC(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate?
The InChIKey is DZDUEWUZXLHEOI-WTQRLHSKSA-N. The full InChI is InChI=1S/C28H44N2O3Si/c1-22(19-29)18-23(20-30-26(31)33-27(2,3)4)21-32-34(28(5,6)7,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23H,18-21,29H2,1-7H3,(H,30,31)/t22-,23?/m1/s1.
What are the key properties of tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate?
tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate has a molecular weight of 484.76 g/mol, XLogP of 4.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-5-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylpentyl]carbamate is sourced from PubChem (CID 175625663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).