2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid

C11H13NO5 — CID 166286482

IUPAC2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid
SMILESCc1cc(C(=O)NOCC(=O)O)cc(C)c1O
InChIInChI=1S/C11H13NO5/c1-6-3-8(4-7(2)10(6)15)11(16)12-17-5-9(13)14/h3-4,15H,5H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyIRDIWGDPMIJRBS-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.76
Rot. Bonds4

About 2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid

2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid (PubChem CID 166286482) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid
PubChem CID166286482
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid
SMILESCc1cc(C(=O)NOCC(=O)O)cc(C)c1O
InChIInChI=1S/C11H13NO5/c1-6-3-8(4-7(2)10(6)15)11(16)12-17-5-9(13)14/h3-4,15H,5H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyIRDIWGDPMIJRBS-UHFFFAOYSA-N
XLogP0.76
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid (CID 166286482) is 2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid is Cc1cc(C(=O)NOCC(=O)O)cc(C)c1O.
What is the InChIKey of 2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid?
The InChIKey is IRDIWGDPMIJRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-6-3-8(4-7(2)10(6)15)11(16)12-17-5-9(13)14/h3-4,15H,5H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of 2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid?
2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 166286482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).