3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid

C15H31NO7 — CID 177240007

IUPAC3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid
SMILESCCOCCOCCOCCOCCOCCNCCC(=O)O
InChIInChI=1S/C15H31NO7/c1-2-19-7-8-21-11-12-23-14-13-22-10-9-20-6-5-16-4-3-15(17)18/h16H,2-14H2,1H3,(H,17,18)
InChIKeyHIEHWFNLTADACP-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.15
Rot. Bonds19

About 3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid

3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid (PubChem CID 177240007) has the molecular formula C15H31NO7 and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid
PubChem CID177240007
Molecular FormulaC15H31NO7
Molecular Weight337.41 g/mol
Exact Mass337.21
IUPAC Name3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid
SMILESCCOCCOCCOCCOCCOCCNCCC(=O)O
InChIInChI=1S/C15H31NO7/c1-2-19-7-8-21-11-12-23-14-13-22-10-9-20-6-5-16-4-3-15(17)18/h16H,2-14H2,1H3,(H,17,18)
InChIKeyHIEHWFNLTADACP-UHFFFAOYSA-N
XLogP0.15
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid?
The IUPAC name of 3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid (CID 177240007) is 3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid is CCOCCOCCOCCOCCOCCNCCC(=O)O.
What is the InChIKey of 3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid?
The InChIKey is HIEHWFNLTADACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO7/c1-2-19-7-8-21-11-12-23-14-13-22-10-9-20-6-5-16-4-3-15(17)18/h16H,2-14H2,1H3,(H,17,18).
What are the key properties of 3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid?
3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid has a molecular weight of 337.41 g/mol, XLogP of 0.15, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid is sourced from PubChem (CID 177240007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).