2-(2,5-dihydroxyanilino)-2-oxoacetic acid

C8H7NO5 — CID 154478317

IUPAC2-(2,5-dihydroxyanilino)-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1cc(O)ccc1O
InChIInChI=1S/C8H7NO5/c10-4-1-2-6(11)5(3-4)9-7(12)8(13)14/h1-3,10-11H,(H,9,12)(H,13,14)
InChIKeyFECIYZXCGLKNFM-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.12
Rot. Bonds1

About 2-(2,5-dihydroxyanilino)-2-oxoacetic acid

2-(2,5-dihydroxyanilino)-2-oxoacetic acid (PubChem CID 154478317) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 2-(2,5-dihydroxyanilino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2,5-dihydroxyanilino)-2-oxoacetic acid
PubChem CID154478317
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name2-(2,5-dihydroxyanilino)-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1cc(O)ccc1O
InChIInChI=1S/C8H7NO5/c10-4-1-2-6(11)5(3-4)9-7(12)8(13)14/h1-3,10-11H,(H,9,12)(H,13,14)
InChIKeyFECIYZXCGLKNFM-UHFFFAOYSA-N
XLogP0.12
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
ethyl 2-(2,5-dihydroxyanilino)-2-oxoacetate
CID 12803557
2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide
CID 131978402
N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 118215209
(2S)-2-(2,5-dihydroxyanilino)propanoic acid
CID 69405550
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid
CID 15300494
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
2-(4-hydroxyanilino)benzene-1,4-diol
CID 171920009
bis(benzene-1,4-diol);carbonic acid
CID 68999082
2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide
CID 122660194
N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxyanilino)-2-oxoacetic acid?
The IUPAC name of 2-(2,5-dihydroxyanilino)-2-oxoacetic acid (CID 154478317) is 2-(2,5-dihydroxyanilino)-2-oxoacetic acid.
What is the SMILES notation for 2-(2,5-dihydroxyanilino)-2-oxoacetic acid?
The canonical SMILES for 2-(2,5-dihydroxyanilino)-2-oxoacetic acid is O=C(O)C(=O)Nc1cc(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxyanilino)-2-oxoacetic acid?
The InChIKey is FECIYZXCGLKNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c10-4-1-2-6(11)5(3-4)9-7(12)8(13)14/h1-3,10-11H,(H,9,12)(H,13,14).
What are the key properties of 2-(2,5-dihydroxyanilino)-2-oxoacetic acid?
2-(2,5-dihydroxyanilino)-2-oxoacetic acid has a molecular weight of 197.15 g/mol, XLogP of 0.12, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxyanilino)-2-oxoacetic acid is sourced from PubChem (CID 154478317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).