2-oxo-2-[2-(propanoylamino)phenyl]acetic acid

C11H11NO4 — CID 577451

IUPAC2-oxo-2-[2-(propanoylamino)phenyl]acetic acid
SMILESCCC(=O)Nc1ccccc1C(=O)C(=O)O
InChIInChI=1S/C11H11NO4/c1-2-9(13)12-8-6-4-3-5-7(8)10(14)11(15)16/h3-6H,2H2,1H3,(H,12,13)(H,15,16)
InChIKeyXDZDGUFFZKSXRH-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.30
Rot. Bonds4

About 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid

2-oxo-2-[2-(propanoylamino)phenyl]acetic acid (PubChem CID 577451) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[2-(propanoylamino)phenyl]acetic acid
PubChem CID577451
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-oxo-2-[2-(propanoylamino)phenyl]acetic acid
SMILESCCC(=O)Nc1ccccc1C(=O)C(=O)O
InChIInChI=1S/C11H11NO4/c1-2-9(13)12-8-6-4-3-5-7(8)10(14)11(15)16/h3-6H,2H2,1H3,(H,12,13)(H,15,16)
InChIKeyXDZDGUFFZKSXRH-UHFFFAOYSA-N
XLogP1.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid?
The IUPAC name of 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid (CID 577451) is 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid?
The canonical SMILES for 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid is CCC(=O)Nc1ccccc1C(=O)C(=O)O.
What is the InChIKey of 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid?
The InChIKey is XDZDGUFFZKSXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-2-9(13)12-8-6-4-3-5-7(8)10(14)11(15)16/h3-6H,2H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid?
2-oxo-2-[2-(propanoylamino)phenyl]acetic acid has a molecular weight of 221.21 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid is sourced from PubChem (CID 577451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).