2-ethyl-2-(4-methoxybutylamino)butanoic acid

C11H23NO3 — CID 115595143

IUPAC2-ethyl-2-(4-methoxybutylamino)butanoic acid
SMILESCCC(CC)(NCCCCOC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-11(5-2,10(13)14)12-8-6-7-9-15-3/h12H,4-9H2,1-3H3,(H,13,14)
InChIKeyPUJPUSAIEHPZMP-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.65
Rot. Bonds9

About 2-ethyl-2-(4-methoxybutylamino)butanoic acid

2-ethyl-2-(4-methoxybutylamino)butanoic acid (PubChem CID 115595143) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-ethyl-2-(4-methoxybutylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(4-methoxybutylamino)butanoic acid
PubChem CID115595143
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-ethyl-2-(4-methoxybutylamino)butanoic acid
SMILESCCC(CC)(NCCCCOC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-11(5-2,10(13)14)12-8-6-7-9-15-3/h12H,4-9H2,1-3H3,(H,13,14)
InChIKeyPUJPUSAIEHPZMP-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.65
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

2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
2-(3-aminopropylamino)-2-ethylbutanoic acid
CID 78987423
2-ethyl-2-(3-methoxypropylsulfonylamino)butanoic acid
CID 79806636
3,3,3-trifluoro-2-(4-methoxybutylamino)-2-methylpropanoic acid
CID 104648495
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 79803516
2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid
CID 79810255
2-(butylamino)-2-ethyl-4-oxopentanoic acid
CID 122603773
ethyl 2-ethyl-2-(2-methoxyethylamino)butanoate
CID 62541696
2-(cyanomethylamino)-2-ethylbutanoic acid
CID 79810338
2-ethyl-2-(2-phenoxyethylamino)butanoic acid
CID 78974687
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-methoxybutylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(4-methoxybutylamino)butanoic acid (CID 115595143) is 2-ethyl-2-(4-methoxybutylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(4-methoxybutylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(4-methoxybutylamino)butanoic acid is CCC(CC)(NCCCCOC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(4-methoxybutylamino)butanoic acid?
The InChIKey is PUJPUSAIEHPZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-11(5-2,10(13)14)12-8-6-7-9-15-3/h12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-2-(4-methoxybutylamino)butanoic acid?
2-ethyl-2-(4-methoxybutylamino)butanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-methoxybutylamino)butanoic acid is sourced from PubChem (CID 115595143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).