5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid

C11H13NO5 — CID 28777069

IUPAC5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid
SMILESCCOCC(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H13NO5/c1-2-17-6-10(14)12-7-3-4-9(13)8(5-7)11(15)16/h3-5,13H,2,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyKZPHQDOKIXRZDT-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.07
Rot. Bonds5

About 5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid

5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid (PubChem CID 28777069) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid
PubChem CID28777069
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid
SMILESCCOCC(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H13NO5/c1-2-17-6-10(14)12-7-3-4-9(13)8(5-7)11(15)16/h3-5,13H,2,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyKZPHQDOKIXRZDT-UHFFFAOYSA-N
XLogP1.07
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.07
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

2-hydroxy-5-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
CID 108808740
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-hydroxybenzoic acid
CID 28675962
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
5-(but-3-enoylamino)-2-hydroxybenzoic acid
CID 62685346
2-hydroxy-5-(3,3,3-trifluoropropanoylamino)benzoic acid
CID 16777039
5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43170102
2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid
CID 136557400
5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid
CID 53269993
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546
2-hydroxy-5-(sulfanylamino)benzoic acid
CID 170946645
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid (CID 28777069) is 5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid is CCOCC(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid?
The InChIKey is KZPHQDOKIXRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-2-17-6-10(14)12-7-3-4-9(13)8(5-7)11(15)16/h3-5,13H,2,6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid?
5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid has a molecular weight of 239.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 28777069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).