methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate

C24H33NO5Si — CID 11026635

IUPACmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO5Si/c1-24(2,3)31(19-12-7-5-8-13-19,20-14-9-6-10-15-20)30-17-11-16-22(27)25-21(18-26)23(28)29-4/h5-10,12-15,21,26H,11,16-18H2,1-4H3,(H,25,27)
InChIKeyHAWJXHSWMCBQDQ-UHFFFAOYSA-N
MW443.62 g/mol
LogP1.99
Rot. Bonds10

About methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate

methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate (PubChem CID 11026635) has the molecular formula C24H33NO5Si and a molecular weight of 443.62 g/mol. Its IUPAC name is methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate
PubChem CID11026635
Molecular FormulaC24H33NO5Si
Molecular Weight443.62 g/mol
Exact Mass443.21
IUPAC Namemethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO5Si/c1-24(2,3)31(19-12-7-5-8-13-19,20-14-9-6-10-15-20)30-17-11-16-22(27)25-21(18-26)23(28)29-4/h5-10,12-15,21,26H,11,16-18H2,1-4H3,(H,25,27)
InChIKeyHAWJXHSWMCBQDQ-UHFFFAOYSA-N
XLogP1.99
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 51.99
H-Bond Donors ≤ 52
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

methyl (E,2S,3S)-6-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate
CID 101737747
methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[(E)-2-fluorooctadec-3-enoyl]amino]propanoate
CID 135026857
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid
CID 86709669
Boc-xiThr(TBDPS)-OH.DCHA
CID 375646
ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate
CID 135017795
methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[(E)-4-trimethylsilylbut-2-enoyl]amino]propanoate
CID 135032984
methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-hydroxybut-3-enoylamino)propanoate
CID 135032985
methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[(E)-2-hydroxyoctadec-3-enoyl]amino]propanoate
CID 135032986
methyl (2S,3S)-6-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-ynoate
CID 11785467
Boc-Thr(TBDPS)-OH.DCHA
CID 90662265
2-(tert-butoxycarbonylamino)-3-[tert-butyl(diphenyl)silyl]oxy-butanoic acid; N-cyclohexylcyclohexanamine
CID 499092
3-[Tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 499093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate (CID 11026635) is methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate?
The InChIKey is HAWJXHSWMCBQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO5Si/c1-24(2,3)31(19-12-7-5-8-13-19,20-14-9-6-10-15-20)30-17-11-16-22(27)25-21(18-26)23(28)29-4/h5-10,12-15,21,26H,11,16-18H2,1-4H3,(H,25,27).
What are the key properties of methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate?
methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate has a molecular weight of 443.62 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate is sourced from PubChem (CID 11026635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).