4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid

C16H25NO4 — CID 82350914

IUPAC4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid
SMILESCOCCNC(CC(=O)O)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C16H25NO4/c1-11-7-12(2)16(21-4)13(8-11)9-14(10-15(18)19)17-5-6-20-3/h7-8,14,17H,5-6,9-10H2,1-4H3,(H,18,19)
InChIKeyZHICZKAWQSDNRS-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.93
Rot. Bonds9

About 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid

4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid (PubChem CID 82350914) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid
PubChem CID82350914
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid
SMILESCOCCNC(CC(=O)O)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C16H25NO4/c1-11-7-12(2)16(21-4)13(8-11)9-14(10-15(18)19)17-5-6-20-3/h7-8,14,17H,5-6,9-10H2,1-4H3,(H,18,19)
InChIKeyZHICZKAWQSDNRS-UHFFFAOYSA-N
XLogP1.93
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)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

1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine
CID 82262565
methyl 4-(2,4-dimethylphenyl)-3-(2-methoxyethylamino)butanoate
CID 82351345
3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
CID 82351155
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
CID 82351880
4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid
CID 82350789
4-(2,5-dimethylphenyl)-3-(2-methylpropylamino)butanoic acid
CID 82351058
3-[2-(dimethylamino)ethylamino]-4-(2,4-dimethylphenyl)butanoic acid
CID 82350617
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-oxoacetic acid
CID 115141461
3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
CID 82351161
3-(2-hydroxyethylamino)-4-(2-methoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
CID 82322782

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid?
The IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid (CID 82350914) is 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid.
What is the SMILES notation for 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid?
The canonical SMILES for 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid is COCCNC(CC(=O)O)Cc1cc(C)cc(C)c1OC.
What is the InChIKey of 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid?
The InChIKey is ZHICZKAWQSDNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11-7-12(2)16(21-4)13(8-11)9-14(10-15(18)19)17-5-6-20-3/h7-8,14,17H,5-6,9-10H2,1-4H3,(H,18,19).
What are the key properties of 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid?
4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid is sourced from PubChem (CID 82350914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).