3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid

C19H29NO3Si — CID 131734474

IUPAC3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(CCC(=O)O)c2ccccc21
InChIInChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)23-13-12-20-14-15(10-11-18(21)22)16-8-6-7-9-17(16)20/h6-9,14H,10-13H2,1-5H3,(H,21,22)
InChIKeyJNJVDVKKVKWNQT-UHFFFAOYSA-N
MW347.53 g/mol
LogP4.68
Rot. Bonds7

About 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid

3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid (PubChem CID 131734474) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid
PubChem CID131734474
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Name3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(CCC(=O)O)c2ccccc21
InChIInChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)23-13-12-20-14-15(10-11-18(21)22)16-8-6-7-9-17(16)20/h6-9,14H,10-13H2,1-5H3,(H,21,22)
InChIKeyJNJVDVKKVKWNQT-UHFFFAOYSA-N
XLogP4.68
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid?
The IUPAC name of 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid (CID 131734474) is 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid is CC(C)(C)[Si](C)(C)OCCn1cc(CCC(=O)O)c2ccccc21.
What is the InChIKey of 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid?
The InChIKey is JNJVDVKKVKWNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)23-13-12-20-14-15(10-11-18(21)22)16-8-6-7-9-17(16)20/h6-9,14H,10-13H2,1-5H3,(H,21,22).
What are the key properties of 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid?
3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid has a molecular weight of 347.53 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid is sourced from PubChem (CID 131734474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).