5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid

C11H16N2O2 — CID 166940817

IUPAC5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid
SMILESCNc1ccc(CN(C)C)cc1C(=O)O
InChIInChI=1S/C11H16N2O2/c1-12-10-5-4-8(7-13(2)3)6-9(10)11(14)15/h4-6,12H,7H2,1-3H3,(H,14,15)
InChIKeyUZEGMTODMZFKNY-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.49
Rot. Bonds4

About 5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid

5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid (PubChem CID 166940817) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid
PubChem CID166940817
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid
SMILESCNc1ccc(CN(C)C)cc1C(=O)O
InChIInChI=1S/C11H16N2O2/c1-12-10-5-4-8(7-13(2)3)6-9(10)11(14)15/h4-6,12H,7H2,1-3H3,(H,14,15)
InChIKeyUZEGMTODMZFKNY-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hexyl-2-(methylamino)benzoic acid
CID 142177835
5-amino-2-(methylamino)benzoic acid
CID 19006283
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
2-(methylamino)-5-propan-2-ylbenzoic acid
CID 130893256
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
5-[[3-carboxy-4-(2-methylprop-2-enoylamino)phenyl]methyl]-2-(2-methylprop-2-enoylamino)benzoic acid
CID 4689214
4-[[carboxymethyl(methyl)amino]methyl]phthalic acid
CID 122189594
[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
CID 170154871
2-bromo-1-[2-chloro-5-[(dimethylamino)methyl]phenyl]ethanone
CID 122480246
N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid
CID 159920944
2-benzamido-5-[(4-benzamido-3-carboxyphenyl)methyl]benzoic acid
CID 2261273
5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62171405

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid?
The IUPAC name of 5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid (CID 166940817) is 5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid?
The canonical SMILES for 5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid is CNc1ccc(CN(C)C)cc1C(=O)O.
What is the InChIKey of 5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid?
The InChIKey is UZEGMTODMZFKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-10-5-4-8(7-13(2)3)6-9(10)11(14)15/h4-6,12H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid?
5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2-(methylamino)benzoic acid is sourced from PubChem (CID 166940817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).