5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid

C11H9NO7 — CID 20548798

IUPAC5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C11H9NO7/c1-12-8(13)4-2-6(10(16)17)7(11(18)19)3-5(4)9(14)15/h2-3H,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
InChIKeySRBFTAFMKYSFEL-UHFFFAOYSA-N
MW267.19 g/mol
LogP0.14
Rot. Bonds4

About 5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid

5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid (PubChem CID 20548798) has the molecular formula C11H9NO7 and a molecular weight of 267.19 g/mol. Its IUPAC name is 5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
PubChem CID20548798
Molecular FormulaC11H9NO7
Molecular Weight267.19 g/mol
Exact Mass267.04
IUPAC Name5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C11H9NO7/c1-12-8(13)4-2-6(10(16)17)7(11(18)19)3-5(4)9(14)15/h2-3H,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
InChIKeySRBFTAFMKYSFEL-UHFFFAOYSA-N
XLogP0.14
TPSA141.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[2,5-dicarboxy-4-(methylcarbamoyl)phenyl]-(methylamino)methanolate
CID 140957889
benzene;2-carbamoyl-5-[3-carboxy-4-(methylcarbamoyl)phenyl]benzoic acid;silver
CID 169424102
2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid
CID 156852362
2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid
CID 159071546
benzene-1,2,4,5-tetracarboxylic acid;lanthanum
CID 157172767
3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide
CID 137452202
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
5-[3-carboxy-4-[(4-methylphenyl)carbamoyl]phenyl]-2-(methylcarbamoyl)benzoic acid
CID 118520306
benzene-1,2,4,5-tetracarboxylic acid;ethene
CID 69404870
potassium;benzene-1,2,4,5-tetracarboxylic acid;hydride
CID 174674645
4-(3-acetyl-4-formylphenyl)-2-(methylcarbamoyl)benzoic acid
CID 58545263
3-(methylcarbamoyl)thiophene-2-carboxylic acid
CID 129267233

Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid?
The IUPAC name of 5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid (CID 20548798) is 5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid.
What is the SMILES notation for 5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid?
The canonical SMILES for 5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid is CNC(=O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.
What is the InChIKey of 5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid?
The InChIKey is SRBFTAFMKYSFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO7/c1-12-8(13)4-2-6(10(16)17)7(11(18)19)3-5(4)9(14)15/h2-3H,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid?
5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid has a molecular weight of 267.19 g/mol, XLogP of 0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid is sourced from PubChem (CID 20548798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).