benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid

C28H35NO4Si — CID 66637139

IUPACbenzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](OC[C@H](CCO)N(Cc1ccccc1)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NO4Si/c1-28(2,3)34(25-15-9-5-10-16-25,26-17-11-6-12-18-26)33-22-24(19-20-30)29(27(31)32)21-23-13-7-4-8-14-23/h4-18,24,30H,19-22H2,1-3H3,(H,31,32)/t24-/m0/s1
InChIKeyYRIPOSLWWNFBPZ-DEOSSOPVSA-N
MW477.68 g/mol
LogP4.49
Rot. Bonds10

About benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid

benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid (PubChem CID 66637139) has the molecular formula C28H35NO4Si and a molecular weight of 477.68 g/mol. Its IUPAC name is benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid
PubChem CID66637139
Molecular FormulaC28H35NO4Si
Molecular Weight477.68 g/mol
Exact Mass477.23
IUPAC Namebenzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](OC[C@H](CCO)N(Cc1ccccc1)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NO4Si/c1-28(2,3)34(25-15-9-5-10-16-25,26-17-11-6-12-18-26)33-22-24(19-20-30)29(27(31)32)21-23-13-7-4-8-14-23/h4-18,24,30H,19-22H2,1-3H3,(H,31,32)/t24-/m0/s1
InChIKeyYRIPOSLWWNFBPZ-DEOSSOPVSA-N
XLogP4.49
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.68
LogP ≤ 54.49
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 benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid?
The IUPAC name of benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid (CID 66637139) is benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid.
What is the SMILES notation for benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid?
The canonical SMILES for benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid is CC(C)(C)[Si](OC[C@H](CCO)N(Cc1ccccc1)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid?
The InChIKey is YRIPOSLWWNFBPZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H35NO4Si/c1-28(2,3)34(25-15-9-5-10-16-25,26-17-11-6-12-18-26)33-22-24(19-20-30)29(27(31)32)21-23-13-7-4-8-14-23/h4-18,24,30H,19-22H2,1-3H3,(H,31,32)/t24-/m0/s1.
What are the key properties of benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid?
benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid has a molecular weight of 477.68 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid is sourced from PubChem (CID 66637139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).