2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid

C13H25NO6Si — CID 73414943

IUPAC2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid
SMILESCCO[Si](OCC)(OCC)C(CC)C(=CC(N)=O)C(=O)O
InChIInChI=1S/C13H25NO6Si/c1-5-11(10(13(16)17)9-12(14)15)21(18-6-2,19-7-3)20-8-4/h9,11H,5-8H2,1-4H3,(H2,14,15)(H,16,17)
InChIKeyZGGUELKFUXYEAM-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.31
Rot. Bonds11

About 2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid

2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid (PubChem CID 73414943) has the molecular formula C13H25NO6Si and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid
PubChem CID73414943
Molecular FormulaC13H25NO6Si
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid
SMILESCCO[Si](OCC)(OCC)C(CC)C(=CC(N)=O)C(=O)O
InChIInChI=1S/C13H25NO6Si/c1-5-11(10(13(16)17)9-12(14)15)21(18-6-2,19-7-3)20-8-4/h9,11H,5-8H2,1-4H3,(H2,14,15)(H,16,17)
InChIKeyZGGUELKFUXYEAM-UHFFFAOYSA-N
XLogP1.31
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-2-oxoethylidene)-3-methylpentanoic acid
CID 54203182
2-methylidene-3-triethoxysilylpentanamide
CID 87348012
4-triethoxysilylhex-1-en-3-one
CID 87180757
2-methyl-4-triethoxysilylhex-2-enamide
CID 173061961
(Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid
CID 175456584
ethyl 5-sulfanyl-2-triethoxysilylpentanoate
CID 174845024
diethyl 2-[(E)-but-2-en-2-yl]propanedioate;(E)-2-pentan-3-ylbut-2-enedioic acid
CID 175822658
2-ethylidene-3-methylpentanoic acid
CID 53446763
1-triethoxysilylpropyl 2-methylbutanoate
CID 22902856
acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine
CID 173156526
4-tripropoxysilylhex-1-en-3-one
CID 175009211
2-(1-triethoxysilylpropyl)butanedioic acid
CID 23043479

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid?
The IUPAC name of 2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid (CID 73414943) is 2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid?
The canonical SMILES for 2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid is CCO[Si](OCC)(OCC)C(CC)C(=CC(N)=O)C(=O)O.
What is the InChIKey of 2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid?
The InChIKey is ZGGUELKFUXYEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6Si/c1-5-11(10(13(16)17)9-12(14)15)21(18-6-2,19-7-3)20-8-4/h9,11H,5-8H2,1-4H3,(H2,14,15)(H,16,17).
What are the key properties of 2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid?
2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid has a molecular weight of 319.43 g/mol, XLogP of 1.31, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethylidene)-3-triethoxysilylpentanoic acid is sourced from PubChem (CID 73414943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).