tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate

C30H44N2O6Si — CID 10940678

IUPACtert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C30H44N2O6Si/c1-28(2,3)37-26(34)31-24(20-33)25(32-27(35)38-29(4,5)6)21-36-39(30(7,8)9,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-20,24-25H,21H2,1-9H3,(H,31,34)(H,32,35)/t24-,25+/m1/s1
InChIKeySBFGFFNQWWLIBH-RPBOFIJWSA-N
MW556.78 g/mol
LogP4.55
Rot. Bonds9

About tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate

tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate (PubChem CID 10940678) has the molecular formula C30H44N2O6Si and a molecular weight of 556.78 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate
PubChem CID10940678
Molecular FormulaC30H44N2O6Si
Molecular Weight556.78 g/mol
Exact Mass556.30
IUPAC Nametert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C30H44N2O6Si/c1-28(2,3)37-26(34)31-24(20-33)25(32-27(35)38-29(4,5)6)21-36-39(30(7,8)9,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-20,24-25H,21H2,1-9H3,(H,31,34)(H,32,35)/t24-,25+/m1/s1
InChIKeySBFGFFNQWWLIBH-RPBOFIJWSA-N
XLogP4.55
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.78
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59316108
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid
CID 86709669
(2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10527141
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 10812418
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
methyl (2S)-3-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121989
tert-butyl N-[(2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate
CID 102450324
tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate
CID 134840212
tert-butyl (R)-(1-azido-3-((tert-butyldiphenylsilyl)oxy)propan-2-yl)carbamate
CID 163408079
methyl (2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 10647436
methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate
CID 10816893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate (CID 10940678) is tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate?
The InChIKey is SBFGFFNQWWLIBH-RPBOFIJWSA-N. The full InChI is InChI=1S/C30H44N2O6Si/c1-28(2,3)37-26(34)31-24(20-33)25(32-27(35)38-29(4,5)6)21-36-39(30(7,8)9,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-20,24-25H,21H2,1-9H3,(H,31,34)(H,32,35)/t24-,25+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate has a molecular weight of 556.78 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 10940678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).