5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid

C11H11NO5 — CID 70359048

IUPAC5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid
SMILESCN(C)C(=O)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C11H11NO5/c1-12(2)9(13)6-3-7(10(14)15)5-8(4-6)11(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyGCLMLEZLSHUTLK-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.78
Rot. Bonds3

About 5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid

5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid (PubChem CID 70359048) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid
PubChem CID70359048
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid
SMILESCN(C)C(=O)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C11H11NO5/c1-12(2)9(13)6-3-7(10(14)15)5-8(4-6)11(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyGCLMLEZLSHUTLK-UHFFFAOYSA-N
XLogP0.78
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylcarbamoyl)-5-methylsulfonylbenzoic acid
CID 58802566
tris(3-acetyl-N,N,5-trimethylbenzamide);3-(dimethylcarbamoyl)-5-methylbenzoic acid
CID 158680105
3,5-dihydroxy-N,N-dimethylbenzamide
CID 103893165
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
benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
benzene-1,3,5-tricarboxylic acid;cerium;thorium
CID 175461142
barium(2+);benzene-1,3,5-tricarboxylic acid;hydride
CID 174613622
benzene-1,3,5-tricarboxylic acid;europium;lanthanum
CID 174874160
2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120518687

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid (CID 70359048) is 5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid is CN(C)C(=O)c1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid?
The InChIKey is GCLMLEZLSHUTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-12(2)9(13)6-3-7(10(14)15)5-8(4-6)11(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid?
5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 70359048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).