4-(dimethylamino)benzoic acid

C9H11NO2 — CID 12092

IUPAC4-(dimethylamino)benzoic acid
SMILESCN(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKeyYDIYEOMDOWUDTJ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.45
Rot. Bonds2

About 4-(dimethylamino)benzoic acid

4-(dimethylamino)benzoic acid (PubChem CID 12092) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-(dimethylamino)benzoic acid.

Molecular Properties

Compound Name4-(dimethylamino)benzoic acid
PubChem CID12092
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-(dimethylamino)benzoic acid
SMILESCN(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKeyYDIYEOMDOWUDTJ-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)benzoic acid?
The IUPAC name of 4-(dimethylamino)benzoic acid (CID 12092) is 4-(dimethylamino)benzoic acid.
What is the SMILES notation for 4-(dimethylamino)benzoic acid?
The canonical SMILES for 4-(dimethylamino)benzoic acid is CN(C)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dimethylamino)benzoic acid?
The InChIKey is YDIYEOMDOWUDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12).
What are the key properties of 4-(dimethylamino)benzoic acid?
4-(dimethylamino)benzoic acid has a molecular weight of 165.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzoic acid is sourced from PubChem (CID 12092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).