2-(methylamino)benzene-1,3,5-tricarboxylic acid

C10H9NO6 — CID 175012776

IUPAC2-(methylamino)benzene-1,3,5-tricarboxylic acid
SMILESCNc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O
InChIInChI=1S/C10H9NO6/c1-11-7-5(9(14)15)2-4(8(12)13)3-6(7)10(16)17/h2-3,11H,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyACWMQUOZYMQADP-UHFFFAOYSA-N
MW239.18 g/mol
LogP0.82
Rot. Bonds4

About 2-(methylamino)benzene-1,3,5-tricarboxylic acid

2-(methylamino)benzene-1,3,5-tricarboxylic acid (PubChem CID 175012776) has the molecular formula C10H9NO6 and a molecular weight of 239.18 g/mol. Its IUPAC name is 2-(methylamino)benzene-1,3,5-tricarboxylic acid.

Molecular Properties

Compound Name2-(methylamino)benzene-1,3,5-tricarboxylic acid
PubChem CID175012776
Molecular FormulaC10H9NO6
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name2-(methylamino)benzene-1,3,5-tricarboxylic acid
SMILESCNc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O
InChIInChI=1S/C10H9NO6/c1-11-7-5(9(14)15)2-4(8(12)13)3-6(7)10(16)17/h2-3,11H,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyACWMQUOZYMQADP-UHFFFAOYSA-N
XLogP0.82
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-4-(methylamino)benzoic acid
CID 170560173
4-(methylamino)-3,5-dinitrobenzoic acid
CID 3533426
2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid
CID 122198422
2-chlorobenzene-1,3,5-tricarboxylic acid
CID 70547954
calcium;hydride;2-hydroxybenzene-1,3,5-tricarboxylic acid
CID 174724690
sodium 2,4-dicarboxyphenolate
CID 159837316
4-fluoro-5-methylbenzene-1,3-dicarboxylic acid
CID 151692716
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
2,4-dimethyl-3-(methylamino)benzoic acid
CID 144869616

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)benzene-1,3,5-tricarboxylic acid?
The IUPAC name of 2-(methylamino)benzene-1,3,5-tricarboxylic acid (CID 175012776) is 2-(methylamino)benzene-1,3,5-tricarboxylic acid.
What is the SMILES notation for 2-(methylamino)benzene-1,3,5-tricarboxylic acid?
The canonical SMILES for 2-(methylamino)benzene-1,3,5-tricarboxylic acid is CNc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O.
What is the InChIKey of 2-(methylamino)benzene-1,3,5-tricarboxylic acid?
The InChIKey is ACWMQUOZYMQADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6/c1-11-7-5(9(14)15)2-4(8(12)13)3-6(7)10(16)17/h2-3,11H,1H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-(methylamino)benzene-1,3,5-tricarboxylic acid?
2-(methylamino)benzene-1,3,5-tricarboxylic acid has a molecular weight of 239.18 g/mol, XLogP of 0.82, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)benzene-1,3,5-tricarboxylic acid is sourced from PubChem (CID 175012776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).