4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid

C15H23NO4 — CID 63035319

IUPAC4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid
SMILESCCCNC(CCOc1cccc(OCC)c1)C(=O)O
InChIInChI=1S/C15H23NO4/c1-3-9-16-14(15(17)18)8-10-20-13-7-5-6-12(11-13)19-4-2/h5-7,11,14,16H,3-4,8-10H2,1-2H3,(H,17,18)
InChIKeyLGCIBLKZIRCLMZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.31
Rot. Bonds10

About 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid

4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid (PubChem CID 63035319) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid
PubChem CID63035319
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid
SMILESCCCNC(CCOc1cccc(OCC)c1)C(=O)O
InChIInChI=1S/C15H23NO4/c1-3-9-16-14(15(17)18)8-10-20-13-7-5-6-12(11-13)19-4-2/h5-7,11,14,16H,3-4,8-10H2,1-2H3,(H,17,18)
InChIKeyLGCIBLKZIRCLMZ-UHFFFAOYSA-N
XLogP2.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63985791
2-[2-(3-chlorophenoxy)ethylamino]pentanoic acid
CID 43631975
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
4-(2,6-difluorophenoxy)-2-(propylamino)butanoic acid
CID 81269196
4-(4-ethoxyphenoxy)-2-(propylamino)butanamide
CID 63039148
4-(4-butylphenoxy)-2-(propylamino)butanoic acid
CID 115493138
4-(3-tert-butylphenoxy)-2-(ethylamino)butanoic acid
CID 63035655
4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63033159
3-(3-ethoxyphenoxy)-2-(methylamino)propanoic acid
CID 62337887
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid?
The IUPAC name of 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid (CID 63035319) is 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid?
The canonical SMILES for 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid is CCCNC(CCOc1cccc(OCC)c1)C(=O)O.
What is the InChIKey of 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid?
The InChIKey is LGCIBLKZIRCLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-9-16-14(15(17)18)8-10-20-13-7-5-6-12(11-13)19-4-2/h5-7,11,14,16H,3-4,8-10H2,1-2H3,(H,17,18).
What are the key properties of 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid?
4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid is sourced from PubChem (CID 63035319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).