methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate

C17H35NO5Si — CID 170984798

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
SMILESCOC(=O)C(CCNCC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO5Si/c1-16(2,3)22-14(19)12-18-11-10-13(15(20)21-7)23-24(8,9)17(4,5)6/h13,18H,10-12H2,1-9H3
InChIKeyQUXFIKBGLKBCEK-UHFFFAOYSA-N
MW361.56 g/mol
LogP2.87
Rot. Bonds8

About methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate

methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate (PubChem CID 170984798) has the molecular formula C17H35NO5Si and a molecular weight of 361.56 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
PubChem CID170984798
Molecular FormulaC17H35NO5Si
Molecular Weight361.56 g/mol
Exact Mass361.23
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
SMILESCOC(=O)C(CCNCC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO5Si/c1-16(2,3)22-14(19)12-18-11-10-13(15(20)21-7)23-24(8,9)17(4,5)6/h13,18H,10-12H2,1-9H3
InChIKeyQUXFIKBGLKBCEK-UHFFFAOYSA-N
XLogP2.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate with MolForge

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Related Compounds

dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 102115680
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673
tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
CID 162715349
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 155789476
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
CID 153328579
tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate
CID 60864302
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54383502
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 10565326
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-methoxypropan-2-yl]oxypropanoate
CID 59279555
ditert-butyl (2S)-2-[bis[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]butanedioate
CID 171651010

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate (CID 170984798) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate is COC(=O)C(CCNCC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The InChIKey is QUXFIKBGLKBCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO5Si/c1-16(2,3)22-14(19)12-18-11-10-13(15(20)21-7)23-24(8,9)17(4,5)6/h13,18H,10-12H2,1-9H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate has a molecular weight of 361.56 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 170984798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).