3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid

C16H23NO5 — CID 119228673

IUPAC3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(OC)c(CCC(=O)N(C)CC(C)C(=O)O)c1
InChIInChI=1S/C16H23NO5/c1-11(16(19)20)10-17(2)15(18)8-5-12-9-13(21-3)6-7-14(12)22-4/h6-7,9,11H,5,8,10H2,1-4H3,(H,19,20)
InChIKeyVVUAFDITSFXQCA-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.82
Rot. Bonds8

About 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid

3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 119228673) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
PubChem CID119228673
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(OC)c(CCC(=O)N(C)CC(C)C(=O)O)c1
InChIInChI=1S/C16H23NO5/c1-11(16(19)20)10-17(2)15(18)8-5-12-9-13(21-3)6-7-14(12)22-4/h6-7,9,11H,5,8,10H2,1-4H3,(H,19,20)
InChIKeyVVUAFDITSFXQCA-UHFFFAOYSA-N
XLogP1.82
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic 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

3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
CID 95972002
(2S)-3-[3-(2,4-dimethylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 97324500
3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]-methylamino]-2-methylpropanoic acid
CID 120687229
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141026
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid
CID 120539314
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167920
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548
2-methyl-3-[methyl-[3-[2-(trifluoromethoxy)phenyl]propanoyl]amino]propanoic acid
CID 119228746
3-[4-(4-acetyl-2-methoxyphenoxy)butanoyl-methylamino]-2-methylpropanoic acid
CID 119227817

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid (CID 119228673) is 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid is COc1ccc(OC)c(CCC(=O)N(C)CC(C)C(=O)O)c1.
What is the InChIKey of 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is VVUAFDITSFXQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-11(16(19)20)10-17(2)15(18)8-5-12-9-13(21-3)6-7-14(12)22-4/h6-7,9,11H,5,8,10H2,1-4H3,(H,19,20).
What are the key properties of 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid?
3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 309.36 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119228673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).