2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid

C10H23NO5Si — CID 141175457

IUPAC2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid
SMILESCCCN(CC(C)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C10H23NO5Si/c1-6-7-11(8-9(2)10(12)13)17(14-3,15-4)16-5/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyNCSBLOMCHZIRDV-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.79
Rot. Bonds9

About 2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid

2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid (PubChem CID 141175457) has the molecular formula C10H23NO5Si and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid
PubChem CID141175457
Molecular FormulaC10H23NO5Si
Molecular Weight265.38 g/mol
Exact Mass265.13
IUPAC Name2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid
SMILESCCCN(CC(C)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C10H23NO5Si/c1-6-7-11(8-9(2)10(12)13)17(14-3,15-4)16-5/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyNCSBLOMCHZIRDV-UHFFFAOYSA-N
XLogP0.79
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid (CID 141175457) is 2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid is CCCN(CC(C)C(=O)O)[Si](OC)(OC)OC.
What is the InChIKey of 2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid?
The InChIKey is NCSBLOMCHZIRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO5Si/c1-6-7-11(8-9(2)10(12)13)17(14-3,15-4)16-5/h9H,6-8H2,1-5H3,(H,12,13).
What are the key properties of 2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid?
2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid has a molecular weight of 265.38 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid is sourced from PubChem (CID 141175457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).