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

C12H27NO5Si — CID 151472451

IUPAC3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
SMILESCCCN(CCC[Si](OC)(OC)OC)CCC(=O)O
InChIInChI=1S/C12H27NO5Si/c1-5-8-13(10-7-12(14)15)9-6-11-19(16-2,17-3)18-4/h5-11H2,1-4H3,(H,14,15)
InChIKeyPKTLLIQGNZSCDD-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.44
Rot. Bonds12

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

3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid (PubChem CID 151472451) has the molecular formula C12H27NO5Si and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
PubChem CID151472451
Molecular FormulaC12H27NO5Si
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
SMILESCCCN(CCC[Si](OC)(OC)OC)CCC(=O)O
InChIInChI=1S/C12H27NO5Si/c1-5-8-13(10-7-12(14)15)9-6-11-19(16-2,17-3)18-4/h5-11H2,1-4H3,(H,14,15)
InChIKeyPKTLLIQGNZSCDD-UHFFFAOYSA-N
XLogP1.44
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[hexyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150372013
3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150680640
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
3-[2-methoxyethyl(propyl)amino]propanoic acid
CID 82328080
3-[3-acetamidopropyl(propyl)amino]propanoic acid
CID 82328102
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid
CID 82328087
2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
CID 59561248
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
N,N-bis[2-(3-trimethoxysilylpropoxy)ethyl]propan-1-amine;N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;N-propyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 162116459

Frequently Asked Questions

What is the IUPAC name of 3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid?
The IUPAC name of 3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid (CID 151472451) is 3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid is CCCN(CCC[Si](OC)(OC)OC)CCC(=O)O.
What is the InChIKey of 3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid?
The InChIKey is PKTLLIQGNZSCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO5Si/c1-5-8-13(10-7-12(14)15)9-6-11-19(16-2,17-3)18-4/h5-11H2,1-4H3,(H,14,15).
What are the key properties of 3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid?
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid has a molecular weight of 293.44 g/mol, XLogP of 1.44, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid is sourced from PubChem (CID 151472451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).