2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid

C9H9NO5 — CID 156852362

IUPAC2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid
SMILESCNC(=O)c1cc(O)cc(C(=O)O)c1O
InChIInChI=1S/C9H9NO5/c1-10-8(13)5-2-4(11)3-6(7(5)12)9(14)15/h2-3,11-12H,1H3,(H,10,13)(H,14,15)
InChIKeyGAAGUGVCXBTIOA-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.16
Rot. Bonds2

About 2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid

2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid (PubChem CID 156852362) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid
PubChem CID156852362
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid
SMILESCNC(=O)c1cc(O)cc(C(=O)O)c1O
InChIInChI=1S/C9H9NO5/c1-10-8(13)5-2-4(11)3-6(7(5)12)9(14)15/h2-3,11-12H,1H3,(H,10,13)(H,14,15)
InChIKeyGAAGUGVCXBTIOA-UHFFFAOYSA-N
XLogP0.16
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 20548798
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 156760724
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534
2,3-difluoro-5-hydroxybenzoic acid
CID 26596765
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 156760584
3-[(3,5-dihydroxyphenyl)-methylcarbamoyl]-2,5-dihydroxybenzoic acid
CID 175330861
3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide
CID 137452202
2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide
CID 141383481
3-[[bis[(3-carboxy-2,5-dihydroxyphenyl)methyl]amino]methyl]-2,5-dihydroxybenzoic acid
CID 156760862
calcium;hydride;2-hydroxybenzene-1,3,5-tricarboxylic acid
CID 174724690
2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid
CID 156760686
5-hydroxy-2-methoxy-N-methylpyridine-3-carboxamide
CID 164765730

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid?
The IUPAC name of 2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid (CID 156852362) is 2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid.
What is the SMILES notation for 2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid?
The canonical SMILES for 2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid is CNC(=O)c1cc(O)cc(C(=O)O)c1O.
What is the InChIKey of 2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid?
The InChIKey is GAAGUGVCXBTIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-10-8(13)5-2-4(11)3-6(7(5)12)9(14)15/h2-3,11-12H,1H3,(H,10,13)(H,14,15).
What are the key properties of 2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid?
2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid has a molecular weight of 211.17 g/mol, XLogP of 0.16, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid is sourced from PubChem (CID 156852362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).