4-amino-3-(dimethylamino)benzoic acid

C9H12N2O2 — CID 82785522

IUPAC4-amino-3-(dimethylamino)benzoic acid
SMILESCN(C)c1cc(C(=O)O)ccc1N
InChIInChI=1S/C9H12N2O2/c1-11(2)8-5-6(9(12)13)3-4-7(8)10/h3-5H,10H2,1-2H3,(H,12,13)
InChIKeyOUPPBZSJFBJGFK-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.03
Rot. Bonds2

About 4-amino-3-(dimethylamino)benzoic acid

4-amino-3-(dimethylamino)benzoic acid (PubChem CID 82785522) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-amino-3-(dimethylamino)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(dimethylamino)benzoic acid
PubChem CID82785522
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-amino-3-(dimethylamino)benzoic acid
SMILESCN(C)c1cc(C(=O)O)ccc1N
InChIInChI=1S/C9H12N2O2/c1-11(2)8-5-6(9(12)13)3-4-7(8)10/h3-5H,10H2,1-2H3,(H,12,13)
InChIKeyOUPPBZSJFBJGFK-UHFFFAOYSA-N
XLogP1.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride
CID 75525893
4-amino-3-(dipropylamino)benzoic acid
CID 82791278
4-amino-3-(2-fluoro-N-methylanilino)benzoic acid
CID 82785779
4-amino-3-[2-(dimethylamino)anilino]benzoic acid
CID 106760641
4-(dimethylamino)-3-hydroxybenzoic acid
CID 21481551
4-amino-3-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312
4-amino-3-[bis(3-methylbutyl)amino]benzoic acid
CID 107870735
4-amino-3-[butan-2-yl(ethyl)amino]benzoic acid
CID 82785049
4-amino-3-[1-(4-chlorophenyl)ethyl-methylamino]benzoic acid
CID 82776530
4-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 82785995
3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride
CID 53429691
3-amino-4-[ethyl(methyl)amino]benzoic acid
CID 60990166

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(dimethylamino)benzoic acid?
The IUPAC name of 4-amino-3-(dimethylamino)benzoic acid (CID 82785522) is 4-amino-3-(dimethylamino)benzoic acid.
What is the SMILES notation for 4-amino-3-(dimethylamino)benzoic acid?
The canonical SMILES for 4-amino-3-(dimethylamino)benzoic acid is CN(C)c1cc(C(=O)O)ccc1N.
What is the InChIKey of 4-amino-3-(dimethylamino)benzoic acid?
The InChIKey is OUPPBZSJFBJGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)8-5-6(9(12)13)3-4-7(8)10/h3-5H,10H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-3-(dimethylamino)benzoic acid?
4-amino-3-(dimethylamino)benzoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(dimethylamino)benzoic acid is sourced from PubChem (CID 82785522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).