3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid

C16H15NO5 — CID 108744198

IUPAC3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccccc1OCC(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C16H15NO5/c1-10-4-2-3-5-14(10)22-9-15(19)17-12-7-6-11(16(20)21)8-13(12)18/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyGFIJLBLKPQCYMU-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.42
Rot. Bonds5

About 3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid

3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid (PubChem CID 108744198) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
PubChem CID108744198
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccccc1OCC(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C16H15NO5/c1-10-4-2-3-5-14(10)22-9-15(19)17-12-7-6-11(16(20)21)8-13(12)18/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyGFIJLBLKPQCYMU-UHFFFAOYSA-N
XLogP2.42
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-3-hydroxybenzoic acid
CID 108766535
3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid
CID 61277367
4-hydroxy-3-[4-(2-methylphenoxy)butanoylamino]benzoic acid
CID 108753983
N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide
CID 1421738
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82876118
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28675994

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid (CID 108744198) is 3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid is Cc1ccccc1OCC(=O)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is GFIJLBLKPQCYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-10-4-2-3-5-14(10)22-9-15(19)17-12-7-6-11(16(20)21)8-13(12)18/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid?
3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid has a molecular weight of 301.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 108744198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).