3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C26H33NO8 — CID 67304548

IUPAC3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCOC(=O)N(CCOCCOCCOCCOCCC(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H33NO8/c1-31-26(30)27(25-22-8-4-2-6-20(22)21-7-3-5-9-23(21)25)11-13-33-15-17-35-19-18-34-16-14-32-12-10-24(28)29/h2-9,25H,10-19H2,1H3,(H,28,29)
InChIKeyOQLVMEBMBIXWOM-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.37
Rot. Bonds16

About 3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 67304548) has the molecular formula C26H33NO8 and a molecular weight of 487.55 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID67304548
Molecular FormulaC26H33NO8
Molecular Weight487.55 g/mol
Exact Mass487.22
IUPAC Name3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCOC(=O)N(CCOCCOCCOCCOCCC(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H33NO8/c1-31-26(30)27(25-22-8-4-2-6-20(22)21-7-3-5-9-23(21)25)11-13-33-15-17-35-19-18-34-16-14-32-12-10-24(28)29/h2-9,25H,10-19H2,1H3,(H,28,29)
InChIKeyOQLVMEBMBIXWOM-UHFFFAOYSA-N
XLogP3.37
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(9H-fluoren-9-yl)carbamate;hydrochloride
CID 75492694
3-[[2-[3-[9H-fluoren-9-yl(methoxycarbonyl)amino]propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 10210593
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 175828147
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[2-(2-methoxyethoxy)ethyl]amino]pentanedioic acid
CID 54036337
(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid
CID 70076002
(2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 126673423
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
CID 69412355
2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium
CID 123970093
3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-(2-oxoethyl)amino]acetyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170597078
3-[9H-fluoren-9-yl(methoxycarbonyl)amino]-4-phenylbutanoic acid
CID 53394977
9H-fluoren-9-ylmethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid
CID 118902712
(2S)-2-[2-(9H-fluoren-9-yl)-2-methoxycarbonylhydrazinyl]-3-methylbutanoic acid
CID 141108437

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 67304548) is 3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is COC(=O)N(CCOCCOCCOCCOCCC(=O)O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is OQLVMEBMBIXWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO8/c1-31-26(30)27(25-22-8-4-2-6-20(22)21-7-3-5-9-23(21)25)11-13-33-15-17-35-19-18-34-16-14-32-12-10-24(28)29/h2-9,25H,10-19H2,1H3,(H,28,29).
What are the key properties of 3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 487.55 g/mol, XLogP of 3.37, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[9H-fluoren-9-yl(methoxycarbonyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 67304548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).