4-(2-ethoxyethylamino)butanoic acid

C8H17NO3 — CID 43457194

IUPAC4-(2-ethoxyethylamino)butanoic acid
SMILESCCOCCNCCCC(=O)O
InChIInChI=1S/C8H17NO3/c1-2-12-7-6-9-5-3-4-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyWKXNLZCOQSWYHQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.48
Rot. Bonds8

About 4-(2-ethoxyethylamino)butanoic acid

4-(2-ethoxyethylamino)butanoic acid (PubChem CID 43457194) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(2-ethoxyethylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-ethoxyethylamino)butanoic acid
PubChem CID43457194
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-(2-ethoxyethylamino)butanoic acid
SMILESCCOCCNCCCC(=O)O
InChIInChI=1S/C8H17NO3/c1-2-12-7-6-9-5-3-4-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyWKXNLZCOQSWYHQ-UHFFFAOYSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
4-[2-[2-(ethoxymethylamino)ethylamino]ethylamino]butanoic acid
CID 175703832
4-(3-carboxypropylamino)butanoic acid
CID 4072500
5-(2-docosoxyethylamino)pentanoic acid
CID 155437408
3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
CID 153323532
4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
CID 175848152
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
8-ethoxy-6-oxooctanoic acid
CID 154310113

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylamino)butanoic acid?
The IUPAC name of 4-(2-ethoxyethylamino)butanoic acid (CID 43457194) is 4-(2-ethoxyethylamino)butanoic acid.
What is the SMILES notation for 4-(2-ethoxyethylamino)butanoic acid?
The canonical SMILES for 4-(2-ethoxyethylamino)butanoic acid is CCOCCNCCCC(=O)O.
What is the InChIKey of 4-(2-ethoxyethylamino)butanoic acid?
The InChIKey is WKXNLZCOQSWYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-12-7-6-9-5-3-4-8(10)11/h9H,2-7H2,1H3,(H,10,11).
What are the key properties of 4-(2-ethoxyethylamino)butanoic acid?
4-(2-ethoxyethylamino)butanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylamino)butanoic acid is sourced from PubChem (CID 43457194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).