methyl 2-(3-trimethoxysilylpropylamino)propanoate

C10H23NO5Si — CID 90838923

IUPACmethyl 2-(3-trimethoxysilylpropylamino)propanoate
SMILESCOC(=O)C(C)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H23NO5Si/c1-9(10(12)13-2)11-7-6-8-17(14-3,15-4)16-5/h9,11H,6-8H2,1-5H3
InChIKeyIZXVQBKTGRLSCI-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.41
Rot. Bonds9

About methyl 2-(3-trimethoxysilylpropylamino)propanoate

methyl 2-(3-trimethoxysilylpropylamino)propanoate (PubChem CID 90838923) has the molecular formula C10H23NO5Si and a molecular weight of 265.38 g/mol. Its IUPAC name is methyl 2-(3-trimethoxysilylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-trimethoxysilylpropylamino)propanoate
PubChem CID90838923
Molecular FormulaC10H23NO5Si
Molecular Weight265.38 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-(3-trimethoxysilylpropylamino)propanoate
SMILESCOC(=O)C(C)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H23NO5Si/c1-9(10(12)13-2)11-7-6-8-17(14-3,15-4)16-5/h9,11H,6-8H2,1-5H3
InChIKeyIZXVQBKTGRLSCI-UHFFFAOYSA-N
XLogP0.41
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.41
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

dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate
CID 19598212
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
methyl 2-(3-ethylsulfonylpropylamino)propanoate
CID 65092726
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid
CID 87235100
6-trimethoxysilylhexylurea
CID 87148927
methyl (2S)-2-(3,3-dimethylbutylamino)propanoate
CID 54129426
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate
CID 54046049

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-trimethoxysilylpropylamino)propanoate?
The IUPAC name of methyl 2-(3-trimethoxysilylpropylamino)propanoate (CID 90838923) is methyl 2-(3-trimethoxysilylpropylamino)propanoate.
What is the SMILES notation for methyl 2-(3-trimethoxysilylpropylamino)propanoate?
The canonical SMILES for methyl 2-(3-trimethoxysilylpropylamino)propanoate is COC(=O)C(C)NCCC[Si](OC)(OC)OC.
What is the InChIKey of methyl 2-(3-trimethoxysilylpropylamino)propanoate?
The InChIKey is IZXVQBKTGRLSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO5Si/c1-9(10(12)13-2)11-7-6-8-17(14-3,15-4)16-5/h9,11H,6-8H2,1-5H3.
What are the key properties of methyl 2-(3-trimethoxysilylpropylamino)propanoate?
methyl 2-(3-trimethoxysilylpropylamino)propanoate has a molecular weight of 265.38 g/mol, XLogP of 0.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-trimethoxysilylpropylamino)propanoate is sourced from PubChem (CID 90838923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).