methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate

C12H27NO4Si — CID 88852058

IUPACmethyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
SMILESCCO[Si](C)(CCCNCCC(=O)OC)OCC
InChIInChI=1S/C12H27NO4Si/c1-5-16-18(4,17-6-2)11-7-9-13-10-8-12(14)15-3/h13H,5-11H2,1-4H3
InChIKeyUSGOWMBPRZUKOP-UHFFFAOYSA-N
MW277.44 g/mol
LogP1.67
Rot. Bonds11

About methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate

methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate (PubChem CID 88852058) has the molecular formula C12H27NO4Si and a molecular weight of 277.44 g/mol. Its IUPAC name is methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
PubChem CID88852058
Molecular FormulaC12H27NO4Si
Molecular Weight277.44 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
SMILESCCO[Si](C)(CCCNCCC(=O)OC)OCC
InChIInChI=1S/C12H27NO4Si/c1-5-16-18(4,17-6-2)11-7-9-13-10-8-12(14)15-3/h13H,5-11H2,1-4H3
InChIKeyUSGOWMBPRZUKOP-UHFFFAOYSA-N
XLogP1.67
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 51.67
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

methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate
CID 88852274
tert-butyl 3-(3-triethoxysilylpropylamino)propanoate
CID 22345864
N-[3-[diethoxy(methyl)silyl]propyl]formamide
CID 125472982
methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate
CID 58052069
CID 21360332
CID 21360332
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751
tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate
CID 88852346
methyl 3-(3-methylsulfonylpropylamino)propanoate
CID 61019742
methyl 2-[3-[ethoxy(dimethyl)silyl]propylamino]-2-oxoacetate
CID 175715117
ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
CID 22065744

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate?
The IUPAC name of methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate (CID 88852058) is methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate.
What is the SMILES notation for methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate?
The canonical SMILES for methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate is CCO[Si](C)(CCCNCCC(=O)OC)OCC.
What is the InChIKey of methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate?
The InChIKey is USGOWMBPRZUKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4Si/c1-5-16-18(4,17-6-2)11-7-9-13-10-8-12(14)15-3/h13H,5-11H2,1-4H3.
What are the key properties of methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate?
methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate has a molecular weight of 277.44 g/mol, XLogP of 1.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate is sourced from PubChem (CID 88852058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).