3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid

C13H29NO4Si — CID 173464123

IUPAC3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid
SMILESCCCO[SiH](CCCN(C)CCC(=O)O)OCCC
InChIInChI=1S/C13H29NO4Si/c1-4-10-17-19(18-11-5-2)12-6-8-14(3)9-7-13(15)16/h19H,4-12H2,1-3H3,(H,15,16)
InChIKeyMAJCCQXKIUULGC-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.86
Rot. Bonds13

About 3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid

3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid (PubChem CID 173464123) has the molecular formula C13H29NO4Si and a molecular weight of 291.46 g/mol. Its IUPAC name is 3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid
PubChem CID173464123
Molecular FormulaC13H29NO4Si
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid
SMILESCCCO[SiH](CCCN(C)CCC(=O)O)OCCC
InChIInChI=1S/C13H29NO4Si/c1-4-10-17-19(18-11-5-2)12-6-8-14(3)9-7-13(15)16/h19H,4-12H2,1-3H3,(H,15,16)
InChIKeyMAJCCQXKIUULGC-UHFFFAOYSA-N
XLogP1.86
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 155195867
CID 155195867
copper;bis(3-[methyl(octadecyl)amino]propanoic acid)
CID 88802515
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
2-dipropoxysilyl-N,N-dimethylethanamine
CID 123245425
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
methane;3-[methyl(propyl)amino]propanoic acid;2-[3-[methyl(propyl)amino]propanoyloxy]ethyl 6-hydroxyhexanoate
CID 160827810
hexanoic acid;N-methyl-N-propylpropan-1-amine
CID 173099175
4-[2-fluoroethyl(methyl)amino]butanoic acid
CID 80694935
8-[methyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid
CID 135329649
N-methyl-N-propylhexan-1-amine;octadecanoic acid
CID 166652568
6-[2-ethoxyethyl(methyl)amino]hexanoic acid
CID 81057778

Frequently Asked Questions

What is the IUPAC name of 3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid (CID 173464123) is 3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid is CCCO[SiH](CCCN(C)CCC(=O)O)OCCC.
What is the InChIKey of 3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid?
The InChIKey is MAJCCQXKIUULGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4Si/c1-4-10-17-19(18-11-5-2)12-6-8-14(3)9-7-13(15)16/h19H,4-12H2,1-3H3,(H,15,16).
What are the key properties of 3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid?
3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid has a molecular weight of 291.46 g/mol, XLogP of 1.86, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid is sourced from PubChem (CID 173464123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).