tert-butyl 3-(3-triethoxysilylpropylamino)propanoate

C16H35NO5Si — CID 22345864

IUPACtert-butyl 3-(3-triethoxysilylpropylamino)propanoate
SMILESCCO[Si](CCCNCCC(=O)OC(C)(C)C)(OCC)OCC
InChIInChI=1S/C16H35NO5Si/c1-7-19-23(20-8-2,21-9-3)14-10-12-17-13-11-15(18)22-16(4,5)6/h17H,7-14H2,1-6H3
InChIKeyLQRFRIRIBOXEQR-UHFFFAOYSA-N
MW349.54 g/mol
LogP2.75
Rot. Bonds13

About tert-butyl 3-(3-triethoxysilylpropylamino)propanoate

tert-butyl 3-(3-triethoxysilylpropylamino)propanoate (PubChem CID 22345864) has the molecular formula C16H35NO5Si and a molecular weight of 349.54 g/mol. Its IUPAC name is tert-butyl 3-(3-triethoxysilylpropylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(3-triethoxysilylpropylamino)propanoate
PubChem CID22345864
Molecular FormulaC16H35NO5Si
Molecular Weight349.54 g/mol
Exact Mass349.23
IUPAC Nametert-butyl 3-(3-triethoxysilylpropylamino)propanoate
SMILESCCO[Si](CCCNCCC(=O)OC(C)(C)C)(OCC)OCC
InChIInChI=1S/C16H35NO5Si/c1-7-19-23(20-8-2,21-9-3)14-10-12-17-13-11-15(18)22-16(4,5)6/h17H,7-14H2,1-6H3
InChIKeyLQRFRIRIBOXEQR-UHFFFAOYSA-N
XLogP2.75
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 52.75
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'}

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Related Compounds

tert-butyl 3-(3-hydroxypropylamino)propanoate
CID 18940757
bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate
CID 174636831
tert-butyl 3-(4-hydroxybutylamino)propanoate
CID 106842831
tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364
tert-butyl 3-[(5-amino-5-oxopentyl)amino]propanoate
CID 106238269
tert-butyl 4-(propylamino)butanoate
CID 22329227
tert-butyl 3-[2-[2-(6-hydroxyhexylamino)ethylamino]ethylamino]propanoate
CID 87946722
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
tert-butyl 3-(4-methylsulfanylbutylamino)propanoate
CID 103264069
methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
CID 88852058
tert-butyl 3-(7-methyloctylamino)propanoate
CID 114004290
N-(3-triethoxysilylpropyl)butanamide
CID 20829613

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-triethoxysilylpropylamino)propanoate?
The IUPAC name of tert-butyl 3-(3-triethoxysilylpropylamino)propanoate (CID 22345864) is tert-butyl 3-(3-triethoxysilylpropylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(3-triethoxysilylpropylamino)propanoate?
The canonical SMILES for tert-butyl 3-(3-triethoxysilylpropylamino)propanoate is CCO[Si](CCCNCCC(=O)OC(C)(C)C)(OCC)OCC.
What is the InChIKey of tert-butyl 3-(3-triethoxysilylpropylamino)propanoate?
The InChIKey is LQRFRIRIBOXEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO5Si/c1-7-19-23(20-8-2,21-9-3)14-10-12-17-13-11-15(18)22-16(4,5)6/h17H,7-14H2,1-6H3.
What are the key properties of tert-butyl 3-(3-triethoxysilylpropylamino)propanoate?
tert-butyl 3-(3-triethoxysilylpropylamino)propanoate has a molecular weight of 349.54 g/mol, XLogP of 2.75, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-triethoxysilylpropylamino)propanoate is sourced from PubChem (CID 22345864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).