methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate

C28H33NO5Si — CID 10368366

IUPACmethyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C28H33NO5Si/c1-28(2,3)35(23-16-10-6-11-17-23,24-18-12-7-13-19-24)34-21-25(26(30)32-4)29-27(31)33-20-22-14-8-5-9-15-22/h5-19,25H,20-21H2,1-4H3,(H,29,31)/t25-/m0/s1
InChIKeyOLQSTXNWTFSTHV-VWLOTQADSA-N
MW491.66 g/mol
LogP4.03
Rot. Bonds9

About methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate

methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 10368366) has the molecular formula C28H33NO5Si and a molecular weight of 491.66 g/mol. Its IUPAC name is methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID10368366
Molecular FormulaC28H33NO5Si
Molecular Weight491.66 g/mol
Exact Mass491.21
IUPAC Namemethyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C28H33NO5Si/c1-28(2,3)35(23-16-10-6-11-17-23,24-18-12-7-13-19-24)34-21-25(26(30)32-4)29-27(31)33-20-22-14-8-5-9-15-22/h5-19,25H,20-21H2,1-4H3,(H,29,31)/t25-/m0/s1
InChIKeyOLQSTXNWTFSTHV-VWLOTQADSA-N
XLogP4.03
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate (CID 10368366) is methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is OLQSTXNWTFSTHV-VWLOTQADSA-N. The full InChI is InChI=1S/C28H33NO5Si/c1-28(2,3)35(23-16-10-6-11-17-23,24-18-12-7-13-19-24)34-21-25(26(30)32-4)29-27(31)33-20-22-14-8-5-9-15-22/h5-19,25H,20-21H2,1-4H3,(H,29,31)/t25-/m0/s1.
What are the key properties of methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 491.66 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 10368366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).