2-anilino-2-oxoacetic acid

C8H7NO3 — CID 10378

IUPAC2-anilino-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1ccccc1
InChIInChI=1S/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)
InChIKeyPQJZHMCWDKOPQG-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.71
Rot. Bonds1

About 2-anilino-2-oxoacetic acid

2-anilino-2-oxoacetic acid (PubChem CID 10378) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-anilino-2-oxoacetic acid.

Molecular Properties

Compound Name2-anilino-2-oxoacetic acid
PubChem CID10378
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name2-anilino-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1ccccc1
InChIInChI=1S/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)
InChIKeyPQJZHMCWDKOPQG-UHFFFAOYSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetanilide
CID 904
2-((1-Methylethyl)phenylamino)-2-oxoacetic acid
CID 155385
Flufenacet oxalate
CID 16212222
2-hydroxy-N-phenylpropanamide
CID 223943
Succinanilic acid
CID 7598
Ethyl 2-(4-fluoroanilino)-2-oxoacetate
CID 2774365
N-Phenyliminodiacetic acid
CID 136915
Glycine, N-acetyl-N-phenyl-
CID 68483
N-Phenylglycine
CID 66025
2-((4-Nitrophenyl)amino)-2-oxoacetic acid
CID 7686
Phenylcarbamic acid
CID 10392
Ethyl oxanilate
CID 73826

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-oxoacetic acid?
The IUPAC name of 2-anilino-2-oxoacetic acid (CID 10378) is 2-anilino-2-oxoacetic acid.
What is the SMILES notation for 2-anilino-2-oxoacetic acid?
The canonical SMILES for 2-anilino-2-oxoacetic acid is O=C(O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-anilino-2-oxoacetic acid?
The InChIKey is PQJZHMCWDKOPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12).
What are the key properties of 2-anilino-2-oxoacetic acid?
2-anilino-2-oxoacetic acid has a molecular weight of 165.15 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-oxoacetic acid is sourced from PubChem (CID 10378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).