3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid

C12H27NO3Si — CID 173464158

IUPAC3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid
SMILESCCN(CCC[SiH2]OC(C)(C)C)CCC(=O)O
InChIInChI=1S/C12H27NO3Si/c1-5-13(9-7-11(14)15)8-6-10-17-16-12(2,3)4/h5-10,17H2,1-4H3,(H,14,15)
InChIKeyGUVRLQXDKBZRFI-UHFFFAOYSA-N
MW261.44 g/mol
LogP1.49
Rot. Bonds9

About 3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid

3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid (PubChem CID 173464158) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is 3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid
PubChem CID173464158
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC Name3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid
SMILESCCN(CCC[SiH2]OC(C)(C)C)CCC(=O)O
InChIInChI=1S/C12H27NO3Si/c1-5-13(9-7-11(14)15)8-6-10-17-16-12(2,3)4/h5-10,17H2,1-4H3,(H,14,15)
InChIKeyGUVRLQXDKBZRFI-UHFFFAOYSA-N
XLogP1.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[3-ethoxypropyl(ethyl)amino]propanoic acid
CID 65180873
3-[2,2-dimethylpropyl(ethyl)amino]propanoic acid
CID 58066359
4-[butyl(ethyl)amino]butanoic acid
CID 20991778
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
3-[2-carboxyethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 169130897
3-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 71722610
3-[[(2S)-5-(diethylamino)pentan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 125462480
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid (CID 173464158) is 3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid is CCN(CCC[SiH2]OC(C)(C)C)CCC(=O)O.
What is the InChIKey of 3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid?
The InChIKey is GUVRLQXDKBZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3Si/c1-5-13(9-7-11(14)15)8-6-10-17-16-12(2,3)4/h5-10,17H2,1-4H3,(H,14,15).
What are the key properties of 3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid?
3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid has a molecular weight of 261.44 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid is sourced from PubChem (CID 173464158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).