2-(dimethylamino)benzene-1,3-dicarboxylic acid

C10H11NO4 — CID 22767033

IUPAC2-(dimethylamino)benzene-1,3-dicarboxylic acid
SMILESCN(C)c1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-11(2)8-6(9(12)13)4-3-5-7(8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
InChIKeyMOGONDSDXITLQL-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.15
Rot. Bonds3

About 2-(dimethylamino)benzene-1,3-dicarboxylic acid

2-(dimethylamino)benzene-1,3-dicarboxylic acid (PubChem CID 22767033) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(dimethylamino)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)benzene-1,3-dicarboxylic acid
PubChem CID22767033
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-(dimethylamino)benzene-1,3-dicarboxylic acid
SMILESCN(C)c1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-11(2)8-6(9(12)13)4-3-5-7(8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
InChIKeyMOGONDSDXITLQL-UHFFFAOYSA-N
XLogP1.15
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(dimethylamino)benzoic acid
CID 19707647
3-(butylamino)-2-(dimethylamino)benzoic acid;hydrochloride
CID 67782108
3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid
CID 67107966
N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925
2-(dimethylamino)benzoic acid;ethene
CID 157119009
2-[2-(dimethylamino)ethyl-methylamino]-3-methylbenzoic acid
CID 107112199
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
naphthalene;phthalic acid
CID 158069637
1-[3-bromo-2-(dimethylamino)phenyl]ethanone
CID 155738000
2-[butan-2-yl(methyl)amino]-3-fluorobenzoic acid
CID 62649994
3-amino-2-[butan-2-yl(methyl)amino]benzoic acid
CID 112578036

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)benzene-1,3-dicarboxylic acid?
The IUPAC name of 2-(dimethylamino)benzene-1,3-dicarboxylic acid (CID 22767033) is 2-(dimethylamino)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(dimethylamino)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-(dimethylamino)benzene-1,3-dicarboxylic acid is CN(C)c1c(C(=O)O)cccc1C(=O)O.
What is the InChIKey of 2-(dimethylamino)benzene-1,3-dicarboxylic acid?
The InChIKey is MOGONDSDXITLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-11(2)8-6(9(12)13)4-3-5-7(8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(dimethylamino)benzene-1,3-dicarboxylic acid?
2-(dimethylamino)benzene-1,3-dicarboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 22767033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).