3-[4-(dimethylamino)phenyl]propanoic acid

C11H15NO2 — CID 7063994

IUPAC3-[4-(dimethylamino)phenyl]propanoic acid
SMILESCN(C)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7H,5,8H2,1-2H3,(H,13,14)
InChIKeyYEETZXRKMHAPRM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.77
Rot. Bonds4

About 3-[4-(dimethylamino)phenyl]propanoic acid

3-[4-(dimethylamino)phenyl]propanoic acid (PubChem CID 7063994) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]propanoic acid
PubChem CID7063994
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[4-(dimethylamino)phenyl]propanoic acid
SMILESCN(C)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7H,5,8H2,1-2H3,(H,13,14)
InChIKeyYEETZXRKMHAPRM-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)phenyl]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 3-[4-(dimethylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(dimethylamino)phenyl]propanoic acid (CID 7063994) is 3-[4-(dimethylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]propanoic acid is CN(C)c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]propanoic acid?
The InChIKey is YEETZXRKMHAPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7H,5,8H2,1-2H3,(H,13,14).
What are the key properties of 3-[4-(dimethylamino)phenyl]propanoic acid?
3-[4-(dimethylamino)phenyl]propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]propanoic acid is sourced from PubChem (CID 7063994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).