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

C10H11NO5 — CID 61277367

IUPAC3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C10H11NO5/c1-16-5-9(13)11-7-3-2-6(10(14)15)4-8(7)12/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyWXACVYAKFGSHEI-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.68
Rot. Bonds4

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

3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid (PubChem CID 61277367) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid
PubChem CID61277367
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C10H11NO5/c1-16-5-9(13)11-7-3-2-6(10(14)15)4-8(7)12/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyWXACVYAKFGSHEI-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': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 108744198
3-hydroxy-4-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 60826514
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181802
4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-3-hydroxybenzoic acid
CID 108766535
4-(2,2-dimethylpropanoylamino)-3-hydroxybenzoic acid
CID 55024977
3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid
CID 60826360
3-hydroxy-4-(2-methoxyethylsulfonylamino)benzoic acid
CID 55009840
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
3-hydroxy-4-(propylcarbamoylamino)benzoic acid
CID 60829260
4-(2-chloropropanoylamino)-3-hydroxybenzoic acid
CID 108744195
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid?
The IUPAC name of 3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid (CID 61277367) is 3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid?
The canonical SMILES for 3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid is COCC(=O)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid?
The InChIKey is WXACVYAKFGSHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-16-5-9(13)11-7-3-2-6(10(14)15)4-8(7)12/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid?
3-hydroxy-4-[(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 3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 61277367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).