methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate

C11H23NO7Si — CID 58383071

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CCC[Si](O)(O)O)CCC(=O)OC
InChIInChI=1S/C11H23NO7Si/c1-18-10(13)4-7-12(8-5-11(14)19-2)6-3-9-20(15,16)17/h15-17H,3-9H2,1-2H3
InChIKeyVXIOUFASJSICEG-UHFFFAOYSA-N
MW309.39 g/mol
LogP-1.28
Rot. Bonds10

About methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate

methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate (PubChem CID 58383071) has the molecular formula C11H23NO7Si and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate
PubChem CID58383071
Molecular FormulaC11H23NO7Si
Molecular Weight309.39 g/mol
Exact Mass309.12
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CCC[Si](O)(O)O)CCC(=O)OC
InChIInChI=1S/C11H23NO7Si/c1-18-10(13)4-7-12(8-5-11(14)19-2)6-3-9-20(15,16)17/h15-17H,3-9H2,1-2H3
InChIKeyVXIOUFASJSICEG-UHFFFAOYSA-N
XLogP-1.28
TPSA116.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
methyl 3-(dihexylamino)propanoate
CID 11032971
methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate
CID 159622507
methyl 3-[3-[3-[3-[3-[bis[3-[3-[bis(3-methoxy-3-oxopropyl)amino]propylamino]-3-oxopropyl]amino]propylamino]propyl-[3-[3-[bis(3-methoxy-3-oxopropyl)amino]propylamino]-3-oxopropyl]amino]propanoylamino]propyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 11804507
methyl 3-[2-[bis(3-oxobutyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 89253634
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 6-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]hexanoate;methyl 6-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethyl]amino]hexanoate
CID 159016954
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
CID 88970270
methyl 4-(dihexylamino)butanoate
CID 142540666
methyl 3-[2-methoxyethyl(pent-4-ynyl)amino]propanoate
CID 112548452
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate (CID 58383071) is methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate is COC(=O)CCN(CCC[Si](O)(O)O)CCC(=O)OC.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate?
The InChIKey is VXIOUFASJSICEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO7Si/c1-18-10(13)4-7-12(8-5-11(14)19-2)6-3-9-20(15,16)17/h15-17H,3-9H2,1-2H3.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate?
methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate has a molecular weight of 309.39 g/mol, XLogP of -1.28, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate is sourced from PubChem (CID 58383071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).