2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid

C11H23NO6Si — CID 88852181

IUPAC2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid
SMILESCO[Si](C)(CCCN(C)C(CC(=O)O)C(=O)O)OC
InChIInChI=1S/C11H23NO6Si/c1-12(9(11(15)16)8-10(13)14)6-5-7-19(4,17-2)18-3/h9H,5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyWMJNBDFNXKNGCE-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.60
Rot. Bonds10

About 2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid

2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid (PubChem CID 88852181) has the molecular formula C11H23NO6Si and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid.

Molecular Properties

Compound Name2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid
PubChem CID88852181
Molecular FormulaC11H23NO6Si
Molecular Weight293.39 g/mol
Exact Mass293.13
IUPAC Name2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid
SMILESCO[Si](C)(CCCN(C)C(CC(=O)O)C(=O)O)OC
InChIInChI=1S/C11H23NO6Si/c1-12(9(11(15)16)8-10(13)14)6-5-7-19(4,17-2)18-3/h9H,5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyWMJNBDFNXKNGCE-UHFFFAOYSA-N
XLogP0.60
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid
CID 88852321
2-[3,3-dimethylbutyl(methyl)amino]butanedioic acid
CID 115144476
2-[2-(4-bromothiophen-2-yl)ethyl-methylamino]butanedioic acid
CID 115144485
bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate
CID 88852299
2-(4-methoxy-N-methylanilino)butanedioic acid
CID 115144312
4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
CID 87910081
2-[(2-methoxyphenyl)methyl-methylamino]butanedioic acid
CID 115144426
bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate
CID 88852356
2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid
CID 64661402
3-[4-[3,3-dihydroxypropyl(methyl)amino]butyl-methylamino]-4-oxo-4-sulfanyloxybutanoic acid
CID 20719373
bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate
CID 88852114
2-[bis(1,2-dicarboxyethyl)amino]butanedioic acid
CID 87974974

Frequently Asked Questions

What is the IUPAC name of 2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid?
The IUPAC name of 2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid (CID 88852181) is 2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid.
What is the SMILES notation for 2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid?
The canonical SMILES for 2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid is CO[Si](C)(CCCN(C)C(CC(=O)O)C(=O)O)OC.
What is the InChIKey of 2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid?
The InChIKey is WMJNBDFNXKNGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO6Si/c1-12(9(11(15)16)8-10(13)14)6-5-7-19(4,17-2)18-3/h9H,5-8H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid?
2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid has a molecular weight of 293.39 g/mol, XLogP of 0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid is sourced from PubChem (CID 88852181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).