2-(1-trimethoxysilylpropylamino)butanedioic acid

C10H21NO7Si — CID 87880478

IUPAC2-(1-trimethoxysilylpropylamino)butanedioic acid
SMILESCCC(NC(CC(=O)O)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C10H21NO7Si/c1-5-8(19(16-2,17-3)18-4)11-7(10(14)15)6-9(12)13/h7-8,11H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeySBPAXVJBWVBUEX-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.30
Rot. Bonds10

About 2-(1-trimethoxysilylpropylamino)butanedioic acid

2-(1-trimethoxysilylpropylamino)butanedioic acid (PubChem CID 87880478) has the molecular formula C10H21NO7Si and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(1-trimethoxysilylpropylamino)butanedioic acid.

Molecular Properties

Compound Name2-(1-trimethoxysilylpropylamino)butanedioic acid
PubChem CID87880478
Molecular FormulaC10H21NO7Si
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Name2-(1-trimethoxysilylpropylamino)butanedioic acid
SMILESCCC(NC(CC(=O)O)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C10H21NO7Si/c1-5-8(19(16-2,17-3)18-4)11-7(10(14)15)6-9(12)13/h7-8,11H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeySBPAXVJBWVBUEX-UHFFFAOYSA-N
XLogP-0.30
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-trimethoxysilylpropan-1-amine
CID 19607493
2-(1-trimethoxysilylpropyl)butanedioic acid
CID 140710851
2-(1-iodoethylamino)butanedioic acid
CID 155084761
2-[2-(1,2-dicarboxyethylamino)propylamino]butanedioic acid
CID 22590659
ethene;2-(methylamino)butanedioic acid
CID 174781740
(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid
CID 87235100
2-[[(1R)-3-amino-1-carboxy-3-oxopropyl]amino]butanedioic acid
CID 132518593
(2S)-4-methoxy-4-oxo-2-(pentan-3-ylcarbamoylamino)butanoic acid
CID 63307314
2-[(1-carboxy-3-hydroxypropan-2-yl)amino]butanedioic acid
CID 59121439
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
2-(oxomethylamino)butanedioic acid
CID 147473019
2-(propoxycarbonylamino)butanedioic acid
CID 142164460

Frequently Asked Questions

What is the IUPAC name of 2-(1-trimethoxysilylpropylamino)butanedioic acid?
The IUPAC name of 2-(1-trimethoxysilylpropylamino)butanedioic acid (CID 87880478) is 2-(1-trimethoxysilylpropylamino)butanedioic acid.
What is the SMILES notation for 2-(1-trimethoxysilylpropylamino)butanedioic acid?
The canonical SMILES for 2-(1-trimethoxysilylpropylamino)butanedioic acid is CCC(NC(CC(=O)O)C(=O)O)[Si](OC)(OC)OC.
What is the InChIKey of 2-(1-trimethoxysilylpropylamino)butanedioic acid?
The InChIKey is SBPAXVJBWVBUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO7Si/c1-5-8(19(16-2,17-3)18-4)11-7(10(14)15)6-9(12)13/h7-8,11H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-(1-trimethoxysilylpropylamino)butanedioic acid?
2-(1-trimethoxysilylpropylamino)butanedioic acid has a molecular weight of 295.36 g/mol, XLogP of -0.30, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-trimethoxysilylpropylamino)butanedioic acid is sourced from PubChem (CID 87880478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).