3-(10-trimethoxysilyldecylamino)propanoic acid

C16H35NO5Si — CID 151748787

IUPAC3-(10-trimethoxysilyldecylamino)propanoic acid
SMILESCO[Si](CCCCCCCCCCNCCC(=O)O)(OC)OC
InChIInChI=1S/C16H35NO5Si/c1-20-23(21-2,22-3)15-11-9-7-5-4-6-8-10-13-17-14-12-16(18)19/h17H,4-15H2,1-3H3,(H,18,19)
InChIKeyROBRUQOMCWBVSR-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.05
Rot. Bonds17

About 3-(10-trimethoxysilyldecylamino)propanoic acid

3-(10-trimethoxysilyldecylamino)propanoic acid (PubChem CID 151748787) has the molecular formula C16H35NO5Si and a molecular weight of 349.54 g/mol. Its IUPAC name is 3-(10-trimethoxysilyldecylamino)propanoic acid.

Molecular Properties

Compound Name3-(10-trimethoxysilyldecylamino)propanoic acid
PubChem CID151748787
Molecular FormulaC16H35NO5Si
Molecular Weight349.54 g/mol
Exact Mass349.23
IUPAC Name3-(10-trimethoxysilyldecylamino)propanoic acid
SMILESCO[Si](CCCCCCCCCCNCCC(=O)O)(OC)OC
InChIInChI=1S/C16H35NO5Si/c1-20-23(21-2,22-3)15-11-9-7-5-4-6-8-10-13-17-14-12-16(18)19/h17H,4-15H2,1-3H3,(H,18,19)
InChIKeyROBRUQOMCWBVSR-UHFFFAOYSA-N
XLogP3.05
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
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-(5-trimethoxysilylpentylamino)propanoic acid
CID 150405129
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
4-trimethoxysilylbutylcarbamic acid
CID 18755644
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
3-[2-(nonylamino)ethylamino]propanoic acid
CID 102117285
azane;3-(dodecylamino)propanoic acid
CID 174643455
3-(pentylamino)propanoic acid
CID 28830294
1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
CID 156782996
N-[3-[dimethoxy(methyl)silyl]propyl]-6-trimethoxysilylhexan-1-amine
CID 175874153
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
sodium;3-(hexadecylamino)propanoic acid;hydride
CID 175392938

Frequently Asked Questions

What is the IUPAC name of 3-(10-trimethoxysilyldecylamino)propanoic acid?
The IUPAC name of 3-(10-trimethoxysilyldecylamino)propanoic acid (CID 151748787) is 3-(10-trimethoxysilyldecylamino)propanoic acid.
What is the SMILES notation for 3-(10-trimethoxysilyldecylamino)propanoic acid?
The canonical SMILES for 3-(10-trimethoxysilyldecylamino)propanoic acid is CO[Si](CCCCCCCCCCNCCC(=O)O)(OC)OC.
What is the InChIKey of 3-(10-trimethoxysilyldecylamino)propanoic acid?
The InChIKey is ROBRUQOMCWBVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO5Si/c1-20-23(21-2,22-3)15-11-9-7-5-4-6-8-10-13-17-14-12-16(18)19/h17H,4-15H2,1-3H3,(H,18,19).
What are the key properties of 3-(10-trimethoxysilyldecylamino)propanoic acid?
3-(10-trimethoxysilyldecylamino)propanoic acid has a molecular weight of 349.54 g/mol, XLogP of 3.05, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-trimethoxysilyldecylamino)propanoic acid is sourced from PubChem (CID 151748787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).