2,3-bis(dimethylamino)benzoic acid

C11H16N2O2 — CID 19707647

IUPAC2,3-bis(dimethylamino)benzoic acid
SMILESCN(C)c1cccc(C(=O)O)c1N(C)C
InChIInChI=1S/C11H16N2O2/c1-12(2)9-7-5-6-8(11(14)15)10(9)13(3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyLFFCZJBFDFALFF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.52
Rot. Bonds3

About 2,3-bis(dimethylamino)benzoic acid

2,3-bis(dimethylamino)benzoic acid (PubChem CID 19707647) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,3-bis(dimethylamino)benzoic acid.

Molecular Properties

Compound Name2,3-bis(dimethylamino)benzoic acid
PubChem CID19707647
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2,3-bis(dimethylamino)benzoic acid
SMILESCN(C)c1cccc(C(=O)O)c1N(C)C
InChIInChI=1S/C11H16N2O2/c1-12(2)9-7-5-6-8(11(14)15)10(9)13(3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyLFFCZJBFDFALFF-UHFFFAOYSA-N
XLogP1.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)benzene-1,3-dicarboxylic acid
CID 22767033
2-(dimethylamino)benzoic acid;ethene
CID 157119009
1-[2,3-bis(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 175290559
2-(dimethylamino)benzoic acid;2-methylprop-2-enoic acid
CID 146636076
2,3-bis(dimethylamino)phenol
CID 22357103
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid
CID 67107966
2-(N-carboxy-2-methylanilino)-3-methylbenzoic acid
CID 173215689
3-[ethyl(methyl)amino]phthalic acid
CID 152622014
3-(butylamino)-2-(dimethylamino)benzoic acid;hydrochloride
CID 67782108
2-(dimethylamino)benzoic acid;ethenyl acetate
CID 158164253
N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(dimethylamino)benzoic acid?
The IUPAC name of 2,3-bis(dimethylamino)benzoic acid (CID 19707647) is 2,3-bis(dimethylamino)benzoic acid.
What is the SMILES notation for 2,3-bis(dimethylamino)benzoic acid?
The canonical SMILES for 2,3-bis(dimethylamino)benzoic acid is CN(C)c1cccc(C(=O)O)c1N(C)C.
What is the InChIKey of 2,3-bis(dimethylamino)benzoic acid?
The InChIKey is LFFCZJBFDFALFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12(2)9-7-5-6-8(11(14)15)10(9)13(3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 2,3-bis(dimethylamino)benzoic acid?
2,3-bis(dimethylamino)benzoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(dimethylamino)benzoic acid is sourced from PubChem (CID 19707647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).