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

C12H16N2O5 — CID 79282540

IUPAC5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
SMILESCOCCNCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-19-5-4-13-7-11(16)14-10-3-2-8(15)6-9(10)12(17)18/h2-3,6,13,15H,4-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyLPUWYOZAVYDRQN-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.26
Rot. Bonds7

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

5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid (PubChem CID 79282540) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
PubChem CID79282540
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
SMILESCOCCNCC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-19-5-4-13-7-11(16)14-10-3-2-8(15)6-9(10)12(17)18/h2-3,6,13,15H,4-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyLPUWYOZAVYDRQN-UHFFFAOYSA-N
XLogP0.26
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
5-hydroxy-2-[[2-(prop-2-enylamino)acetyl]amino]benzoic acid
CID 79280371
5-chloro-2-methoxy-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79271305
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119707722
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119679545
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802
5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79271306

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid (CID 79282540) is 5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid is COCCNCC(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid?
The InChIKey is LPUWYOZAVYDRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-19-5-4-13-7-11(16)14-10-3-2-8(15)6-9(10)12(17)18/h2-3,6,13,15H,4-5,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid?
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid is sourced from PubChem (CID 79282540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).