5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid

C10H11NO5 — CID 61405856

IUPAC5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C10H11NO5/c1-16-5-9(13)11-8-3-2-6(12)4-7(8)10(14)15/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyAYYIXKRMMMGDRY-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.68
Rot. Bonds4

About 5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid

5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid (PubChem CID 61405856) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
PubChem CID61405856
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C10H11NO5/c1-16-5-9(13)11-8-3-2-6(12)4-7(8)10(14)15/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyAYYIXKRMMMGDRY-UHFFFAOYSA-N
XLogP0.68
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79282540
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid
CID 62865537
2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid
CID 25026140
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid
CID 61277367
2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
CID 61405791
2-[(2-tert-butylsulfanylacetyl)amino]-5-hydroxybenzoic acid
CID 61406288
2-(3-acetamidopropanoylamino)-5-hydroxybenzoic acid
CID 61405990
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid (CID 61405856) is 5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid is COCC(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid?
The InChIKey is AYYIXKRMMMGDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-16-5-9(13)11-8-3-2-6(12)4-7(8)10(14)15/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid?
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 61405856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).