2-benzamidooxyacetic acid

C9H9NO4 — CID 21322

IUPAC2-benzamidooxyacetic acid
SMILESO=C(O)CONC(=O)c1ccccc1
InChIInChI=1S/C9H9NO4/c11-8(12)6-14-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKeyWDRGQGLIUAMOOC-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.43
Rot. Bonds4

About 2-benzamidooxyacetic acid

2-benzamidooxyacetic acid (PubChem CID 21322) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-benzamidooxyacetic acid.

Molecular Properties

Compound Name2-benzamidooxyacetic acid
PubChem CID21322
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-benzamidooxyacetic acid
SMILESO=C(O)CONC(=O)c1ccccc1
InChIInChI=1S/C9H9NO4/c11-8(12)6-14-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKeyWDRGQGLIUAMOOC-UHFFFAOYSA-N
XLogP0.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-benzamidooxyacetic acid?
The IUPAC name of 2-benzamidooxyacetic acid (CID 21322) is 2-benzamidooxyacetic acid.
What is the SMILES notation for 2-benzamidooxyacetic acid?
The canonical SMILES for 2-benzamidooxyacetic acid is O=C(O)CONC(=O)c1ccccc1.
What is the InChIKey of 2-benzamidooxyacetic acid?
The InChIKey is WDRGQGLIUAMOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-8(12)6-14-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12).
What are the key properties of 2-benzamidooxyacetic acid?
2-benzamidooxyacetic acid has a molecular weight of 195.17 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidooxyacetic acid is sourced from PubChem (CID 21322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).