methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate

C25H35NO5Si — CID 68802689

IUPACmethyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESCCCCOC(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C25H35NO5Si/c1-6-7-18-30-24(28)26-22(23(27)29-5)19-31-32(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22H,6-7,18-19H2,1-5H3,(H,26,28)
InChIKeyNPWQGWCHEYHYCQ-UHFFFAOYSA-N
MW457.64 g/mol
LogP3.63
Rot. Bonds10

About methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate

methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate (PubChem CID 68802689) has the molecular formula C25H35NO5Si and a molecular weight of 457.64 g/mol. Its IUPAC name is methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate
PubChem CID68802689
Molecular FormulaC25H35NO5Si
Molecular Weight457.64 g/mol
Exact Mass457.23
IUPAC Namemethyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESCCCCOC(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C25H35NO5Si/c1-6-7-18-30-24(28)26-22(23(27)29-5)19-31-32(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22H,6-7,18-19H2,1-5H3,(H,26,28)
InChIKeyNPWQGWCHEYHYCQ-UHFFFAOYSA-N
XLogP3.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[(E)-2-fluorooctadec-3-enoyl]amino]propanoate
CID 135026857
Methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate
CID 11026635
Methyl O-[tert-butyl(diphenyl)silyl]serinate
CID 11210526
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
Boc-xiThr(TBDPS)-OTBDPS
CID 375645
(2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10527141
(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
CID 10741724
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
The IUPAC name of methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate (CID 68802689) is methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate.
What is the SMILES notation for methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
The canonical SMILES for methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate is CCCCOC(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
The InChIKey is NPWQGWCHEYHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO5Si/c1-6-7-18-30-24(28)26-22(23(27)29-5)19-31-32(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22H,6-7,18-19H2,1-5H3,(H,26,28).
What are the key properties of methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate?
methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate has a molecular weight of 457.64 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxypropanoate is sourced from PubChem (CID 68802689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).