3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid

C17H19NO3 — CID 83955823

IUPAC3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid
SMILESCN(C)c1ccc(CC(C(=O)O)c2cccc(O)c2)cc1
InChIInChI=1S/C17H19NO3/c1-18(2)14-8-6-12(7-9-14)10-16(17(20)21)13-4-3-5-15(19)11-13/h3-9,11,16,19H,10H2,1-2H3,(H,20,21)
InChIKeyZULOBKFOXBPBAI-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.87
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid

3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid (PubChem CID 83955823) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid
PubChem CID83955823
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid
SMILESCN(C)c1ccc(CC(C(=O)O)c2cccc(O)c2)cc1
InChIInChI=1S/C17H19NO3/c1-18(2)14-8-6-12(7-9-14)10-16(17(20)21)13-4-3-5-15(19)11-13/h3-9,11,16,19H,10H2,1-2H3,(H,20,21)
InChIKeyZULOBKFOXBPBAI-UHFFFAOYSA-N
XLogP2.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
2-(4-tert-butylphenyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 82141249
3-(4-cyanophenyl)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 82141019
2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
CID 43205609
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid
CID 163124301
2-(3-bromophenyl)-3-(4-ethylphenyl)propanoic acid
CID 79441100
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid (CID 83955823) is 3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid is CN(C)c1ccc(CC(C(=O)O)c2cccc(O)c2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid?
The InChIKey is ZULOBKFOXBPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18(2)14-8-6-12(7-9-14)10-16(17(20)21)13-4-3-5-15(19)11-13/h3-9,11,16,19H,10H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid?
3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 83955823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).