5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid

C13H27NO5 — CID 175739046

IUPAC5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
SMILESCCOCCOCCOCCNCCCCC(=O)O
InChIInChI=1S/C13H27NO5/c1-2-17-9-10-19-12-11-18-8-7-14-6-4-3-5-13(15)16/h14H,2-12H2,1H3,(H,15,16)
InChIKeyRYTDKJIMXCNEID-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.90
Rot. Bonds15

About 5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid

5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid (PubChem CID 175739046) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
PubChem CID175739046
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
SMILESCCOCCOCCOCCNCCCCC(=O)O
InChIInChI=1S/C13H27NO5/c1-2-17-9-10-19-12-11-18-8-7-14-6-4-3-5-13(15)16/h14H,2-12H2,1H3,(H,15,16)
InChIKeyRYTDKJIMXCNEID-UHFFFAOYSA-N
XLogP0.90
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyethylamino)butanoic acid
CID 43457194
5-(2-docosoxyethylamino)pentanoic acid
CID 155437408
3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
CID 153323532
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
5-(2-but-3-enoxyethylamino)pentanoic acid
CID 106402163
5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 122688280
2-[1-deuterio-2-[2-[2-[2-[2-[4-[4-(16-ethoxyhexadecylamino)butylamino]butylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]acetic acid
CID 175788529
18-[4-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]butylamino]-18-oxooctadecanoic acid
CID 123545676
5-(propylamino)pentanoic acid
CID 103691549
4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid
CID 175703832

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid?
The IUPAC name of 5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid (CID 175739046) is 5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid.
What is the SMILES notation for 5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid?
The canonical SMILES for 5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid is CCOCCOCCOCCNCCCCC(=O)O.
What is the InChIKey of 5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid?
The InChIKey is RYTDKJIMXCNEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-2-17-9-10-19-12-11-18-8-7-14-6-4-3-5-13(15)16/h14H,2-12H2,1H3,(H,15,16).
What are the key properties of 5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid?
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 0.90, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid is sourced from PubChem (CID 175739046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).