2-(N-carboxyanilino)-2-oxoacetic acid

C9H7NO5 — CID 69036482

IUPAC2-(N-carboxyanilino)-2-oxoacetic acid
SMILESO=C(O)C(=O)N(C(=O)O)c1ccccc1
InChIInChI=1S/C9H7NO5/c11-7(8(12)13)10(9(14)15)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)
InChIKeyGXCOWVVFZIZBTN-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.78
Rot. Bonds1

About 2-(N-carboxyanilino)-2-oxoacetic acid

2-(N-carboxyanilino)-2-oxoacetic acid (PubChem CID 69036482) has the molecular formula C9H7NO5 and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-(N-carboxyanilino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(N-carboxyanilino)-2-oxoacetic acid
PubChem CID69036482
Molecular FormulaC9H7NO5
Molecular Weight209.16 g/mol
Exact Mass209.03
IUPAC Name2-(N-carboxyanilino)-2-oxoacetic acid
SMILESO=C(O)C(=O)N(C(=O)O)c1ccccc1
InChIInChI=1S/C9H7NO5/c11-7(8(12)13)10(9(14)15)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)
InChIKeyGXCOWVVFZIZBTN-UHFFFAOYSA-N
XLogP0.78
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-diphenylethane-1,2-dione;2-oxo-2-(N-phenylanilino)acetic acid
CID 174668651
cobalt;bis(diphenylcarbamic acid)
CID 155679078
carboxy-(4-phenyldiazenylphenyl)carbamic acid
CID 175154168
hydroxymethyl(phenyl)carbamic acid
CID 69165687
N-(2-oxo-2-phenylacetyl)-N-phenylbenzamide
CID 11782445
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
methanethioyl(phenyl)carbamic acid
CID 87719444
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384
1,1-diphenylurea
CID 174849888
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
(4-chlorobenzoyl)carbamoyl-phenylcarbamic acid
CID 57361745
2-bromo-N,N-diphenylprop-2-enamide
CID 15519224

Frequently Asked Questions

What is the IUPAC name of 2-(N-carboxyanilino)-2-oxoacetic acid?
The IUPAC name of 2-(N-carboxyanilino)-2-oxoacetic acid (CID 69036482) is 2-(N-carboxyanilino)-2-oxoacetic acid.
What is the SMILES notation for 2-(N-carboxyanilino)-2-oxoacetic acid?
The canonical SMILES for 2-(N-carboxyanilino)-2-oxoacetic acid is O=C(O)C(=O)N(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-carboxyanilino)-2-oxoacetic acid?
The InChIKey is GXCOWVVFZIZBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5/c11-7(8(12)13)10(9(14)15)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 2-(N-carboxyanilino)-2-oxoacetic acid?
2-(N-carboxyanilino)-2-oxoacetic acid has a molecular weight of 209.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-carboxyanilino)-2-oxoacetic acid is sourced from PubChem (CID 69036482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).