3-[ethyl(4-methoxybutyl)amino]butanoic acid

C11H23NO3 — CID 104648446

IUPAC3-[ethyl(4-methoxybutyl)amino]butanoic acid
SMILESCCN(CCCCOC)C(C)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-4-12(7-5-6-8-15-3)10(2)9-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyVVDFHPPGZXSUMB-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds9

About 3-[ethyl(4-methoxybutyl)amino]butanoic acid

3-[ethyl(4-methoxybutyl)amino]butanoic acid (PubChem CID 104648446) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[ethyl(4-methoxybutyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(4-methoxybutyl)amino]butanoic acid
PubChem CID104648446
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[ethyl(4-methoxybutyl)amino]butanoic acid
SMILESCCN(CCCCOC)C(C)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-4-12(7-5-6-8-15-3)10(2)9-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyVVDFHPPGZXSUMB-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-methoxybutyl(propan-2-yl)amino]propanoic acid
CID 104648419
3-[di(icosyl)amino]butanoic acid
CID 101313989
3-(dioctylamino)butanoic acid
CID 101313450
3-[ethyl-[4-(methylamino)-4-oxobutyl]amino]butanoic acid
CID 63892314
3-[ethyl(3-phenylpropyl)amino]butanoic acid
CID 62826742
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid
CID 62826031
3-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]butanoic acid
CID 62827272
3-[2-(4-bromophenoxy)ethyl-ethylamino]butanoic acid
CID 62827483
3-[2-(4-chlorophenoxy)ethyl-ethylamino]butanoic acid
CID 62828347
3-[ethyl(2-phenylsulfanylethyl)amino]butanoic acid
CID 79228922
2-[4-methoxybutyl(propan-2-yl)amino]ethanol
CID 115685977

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(4-methoxybutyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(4-methoxybutyl)amino]butanoic acid (CID 104648446) is 3-[ethyl(4-methoxybutyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(4-methoxybutyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(4-methoxybutyl)amino]butanoic acid is CCN(CCCCOC)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(4-methoxybutyl)amino]butanoic acid?
The InChIKey is VVDFHPPGZXSUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-12(7-5-6-8-15-3)10(2)9-11(13)14/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 3-[ethyl(4-methoxybutyl)amino]butanoic acid?
3-[ethyl(4-methoxybutyl)amino]butanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(4-methoxybutyl)amino]butanoic acid is sourced from PubChem (CID 104648446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).