2-acetamido-3-(4-methoxyphenyl)propanoic acid

C12H15NO4 — CID 3394278

IUPAC2-acetamido-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(NC(C)=O)C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-8(14)13-11(12(15)16)7-9-3-5-10(17-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHRUASHPCEMXOMR-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.83
Rot. Bonds5

About 2-acetamido-3-(4-methoxyphenyl)propanoic acid

2-acetamido-3-(4-methoxyphenyl)propanoic acid (PubChem CID 3394278) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-acetamido-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-methoxyphenyl)propanoic acid
PubChem CID3394278
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-acetamido-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(NC(C)=O)C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-8(14)13-11(12(15)16)7-9-3-5-10(17-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHRUASHPCEMXOMR-UHFFFAOYSA-N
XLogP0.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-3-(4-methoxyphenyl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-methoxyphenyl)propanoic acid (CID 3394278) is 2-acetamido-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-methoxyphenyl)propanoic acid is COc1ccc(CC(NC(C)=O)C(=O)O)cc1.
What is the InChIKey of 2-acetamido-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is HRUASHPCEMXOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(14)13-11(12(15)16)7-9-3-5-10(17-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-3-(4-methoxyphenyl)propanoic acid?
2-acetamido-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 3394278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).