dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate

C12H25NO7Si — CID 19598212

IUPACdimethyl 2-(3-trimethoxysilylpropylamino)butanedioate
SMILESCOC(=O)CC(NCCC[Si](OC)(OC)OC)C(=O)OC
InChIInChI=1S/C12H25NO7Si/c1-16-11(14)9-10(12(15)17-2)13-7-6-8-21(18-3,19-4)20-5/h10,13H,6-9H2,1-5H3
InChIKeyAOXQJPCMTUAMCY-UHFFFAOYSA-N
MW323.42 g/mol
LogP-0.05
Rot. Bonds11

About dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate

dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate (PubChem CID 19598212) has the molecular formula C12H25NO7Si and a molecular weight of 323.42 g/mol. Its IUPAC name is dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(3-trimethoxysilylpropylamino)butanedioate
PubChem CID19598212
Molecular FormulaC12H25NO7Si
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Namedimethyl 2-(3-trimethoxysilylpropylamino)butanedioate
SMILESCOC(=O)CC(NCCC[Si](OC)(OC)OC)C(=O)OC
InChIInChI=1S/C12H25NO7Si/c1-16-11(14)9-10(12(15)17-2)13-7-6-8-21(18-3,19-4)20-5/h10,13H,6-9H2,1-5H3
InChIKeyAOXQJPCMTUAMCY-UHFFFAOYSA-N
XLogP-0.05
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate?
The IUPAC name of dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate (CID 19598212) is dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate.
What is the SMILES notation for dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate?
The canonical SMILES for dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate is COC(=O)CC(NCCC[Si](OC)(OC)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate?
The InChIKey is AOXQJPCMTUAMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO7Si/c1-16-11(14)9-10(12(15)17-2)13-7-6-8-21(18-3,19-4)20-5/h10,13H,6-9H2,1-5H3.
What are the key properties of dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate?
dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate has a molecular weight of 323.42 g/mol, XLogP of -0.05, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate is sourced from PubChem (CID 19598212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).