5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid

C10H12N2O4 — CID 61405958

IUPAC5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
SMILESCNCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-11-5-9(14)12-8-3-2-6(13)4-7(8)10(15)16/h2-4,11,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyLGUAYFVEYARYRI-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.25
Rot. Bonds4

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

5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid (PubChem CID 61405958) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
PubChem CID61405958
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
SMILESCNCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-11-5-9(14)12-8-3-2-6(13)4-7(8)10(15)16/h2-4,11,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyLGUAYFVEYARYRI-UHFFFAOYSA-N
XLogP0.25
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79282540
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
5-hydroxy-2-[[2-(prop-2-enylamino)acetyl]amino]benzoic acid
CID 79280371
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-(oxaloamino)benzoic acid
CID 20651558
5-hydroxy-2-(pent-4-enoylamino)benzoic acid
CID 55102905
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
2-[[2-(2-acetyl-4,5-dimethylphenoxy)acetyl]amino]-5-hydroxybenzoic acid
CID 25026140

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid (CID 61405958) is 5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid is CNCC(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid?
The InChIKey is LGUAYFVEYARYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-11-5-9(14)12-8-3-2-6(13)4-7(8)10(15)16/h2-4,11,13H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid?
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid has a molecular weight of 224.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid is sourced from PubChem (CID 61405958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).