3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid

C16H35NO5Si — CID 150680640

IUPAC3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid
SMILESCCCCCCCN(CCC[Si](OC)(OC)OC)CCC(=O)O
InChIInChI=1S/C16H35NO5Si/c1-5-6-7-8-9-12-17(14-11-16(18)19)13-10-15-23(20-2,21-3)22-4/h5-15H2,1-4H3,(H,18,19)
InChIKeyJHUFXUOSPLQOPX-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.00
Rot. Bonds16

About 3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid

3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid (PubChem CID 150680640) has the molecular formula C16H35NO5Si and a molecular weight of 349.54 g/mol. Its IUPAC name is 3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid
PubChem CID150680640
Molecular FormulaC16H35NO5Si
Molecular Weight349.54 g/mol
Exact Mass349.23
IUPAC Name3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid
SMILESCCCCCCCN(CCC[Si](OC)(OC)OC)CCC(=O)O
InChIInChI=1S/C16H35NO5Si/c1-5-6-7-8-9-12-17(14-11-16(18)19)13-10-15-23(20-2,21-3)22-4/h5-15H2,1-4H3,(H,18,19)
InChIKeyJHUFXUOSPLQOPX-UHFFFAOYSA-N
XLogP3.00
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-[hexyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150372013
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
4-(didodecylamino)butanoic acid
CID 101313875
3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
CID 82328793
methyl 3-(dihexylamino)propanoate
CID 11032971

Frequently Asked Questions

What is the IUPAC name of 3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid?
The IUPAC name of 3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid (CID 150680640) is 3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid is CCCCCCCN(CCC[Si](OC)(OC)OC)CCC(=O)O.
What is the InChIKey of 3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid?
The InChIKey is JHUFXUOSPLQOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO5Si/c1-5-6-7-8-9-12-17(14-11-16(18)19)13-10-15-23(20-2,21-3)22-4/h5-15H2,1-4H3,(H,18,19).
What are the key properties of 3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid?
3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid has a molecular weight of 349.54 g/mol, XLogP of 3.00, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid is sourced from PubChem (CID 150680640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).