methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C26H37NO5Si — CID 101226016

IUPACmethyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H37NO5Si/c1-25(2,3)32-24(29)27-22(23(28)30-7)18-19-31-33(26(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22H,18-19H2,1-7H3,(H,27,29)/t22-/m0/s1
InChIKeyFCLSXPPFQURFIQ-QFIPXVFZSA-N
MW471.67 g/mol
LogP4.02
Rot. Bonds8

About methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 101226016) has the molecular formula C26H37NO5Si and a molecular weight of 471.67 g/mol. Its IUPAC name is methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID101226016
Molecular FormulaC26H37NO5Si
Molecular Weight471.67 g/mol
Exact Mass471.24
IUPAC Namemethyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H37NO5Si/c1-25(2,3)32-24(29)27-22(23(28)30-7)18-19-31-33(26(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22H,18-19H2,1-7H3,(H,27,29)/t22-/m0/s1
InChIKeyFCLSXPPFQURFIQ-QFIPXVFZSA-N
XLogP4.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 54.02
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)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 101226016) is methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is COC(=O)[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is FCLSXPPFQURFIQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H37NO5Si/c1-25(2,3)32-24(29)27-22(23(28)30-7)18-19-31-33(26(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22H,18-19H2,1-7H3,(H,27,29)/t22-/m0/s1.
What are the key properties of methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 471.67 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 101226016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).