3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid

C13H28N2O4 — CID 153323532

IUPAC3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
SMILESCCNCCCCNCCOCCOCCC(=O)O
InChIInChI=1S/C13H28N2O4/c1-2-14-6-3-4-7-15-8-10-19-12-11-18-9-5-13(16)17/h14-15H,2-12H2,1H3,(H,16,17)
InChIKeyBCGQIRXZMRLJGU-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.47
Rot. Bonds15

About 3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid

3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid (PubChem CID 153323532) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
PubChem CID153323532
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
SMILESCCNCCCCNCCOCCOCCC(=O)O
InChIInChI=1S/C13H28N2O4/c1-2-14-6-3-4-7-15-8-10-19-12-11-18-9-5-13(16)17/h14-15H,2-12H2,1H3,(H,16,17)
InChIKeyBCGQIRXZMRLJGU-UHFFFAOYSA-N
XLogP0.47
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046
3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 156873078
4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one
CID 137458388
5-(2-docosoxyethylamino)pentanoic acid
CID 155437408
3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128331
4-(2-ethoxyethylamino)butanoic acid
CID 43457194
10-(ethylamino)decanoic acid
CID 57308942
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
3-[2-(methanesulfinamido)ethoxy]propanoic acid
CID 158696770

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid (CID 153323532) is 3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid is CCNCCCCNCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid?
The InChIKey is BCGQIRXZMRLJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4/c1-2-14-6-3-4-7-15-8-10-19-12-11-18-9-5-13(16)17/h14-15H,2-12H2,1H3,(H,16,17).
What are the key properties of 3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 0.47, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 153323532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).