2-[(4-nitrobenzoyl)amino]oxyacetic acid

C9H8N2O6 — CID 60668150

IUPAC2-[(4-nitrobenzoyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N2O6/c12-8(13)5-17-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)
InChIKeyZIRVUCLUUUYZJO-UHFFFAOYSA-N
MW240.17 g/mol
LogP0.34
Rot. Bonds5

About 2-[(4-nitrobenzoyl)amino]oxyacetic acid

2-[(4-nitrobenzoyl)amino]oxyacetic acid (PubChem CID 60668150) has the molecular formula C9H8N2O6 and a molecular weight of 240.17 g/mol. Its IUPAC name is 2-[(4-nitrobenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-nitrobenzoyl)amino]oxyacetic acid
PubChem CID60668150
Molecular FormulaC9H8N2O6
Molecular Weight240.17 g/mol
Exact Mass240.04
IUPAC Name2-[(4-nitrobenzoyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N2O6/c12-8(13)5-17-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)
InChIKeyZIRVUCLUUUYZJO-UHFFFAOYSA-N
XLogP0.34
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-[dideuterio-(4-nitrophenyl)methoxy]benzamide
CID 10061879
N-(2-methoxyacetyl)-4-nitrobenzamide
CID 134085737
2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid
CID 63915357
[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942
4-nitro-N-trimethylsilylbenzamide
CID 12726300
N-formyl-4-nitrobenzamide
CID 12550339
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
4-nitrobenzoate;vanadium
CID 172712620
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrobenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(4-nitrobenzoyl)amino]oxyacetic acid (CID 60668150) is 2-[(4-nitrobenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-nitrobenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-nitrobenzoyl)amino]oxyacetic acid is O=C(O)CONC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrobenzoyl)amino]oxyacetic acid?
The InChIKey is ZIRVUCLUUUYZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O6/c12-8(13)5-17-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13).
What are the key properties of 2-[(4-nitrobenzoyl)amino]oxyacetic acid?
2-[(4-nitrobenzoyl)amino]oxyacetic acid has a molecular weight of 240.17 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrobenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 60668150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).