2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid

C19H15NO5 — CID 24828116

IUPAC2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C(=O)C(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H15NO5/c21-14(22)11-20-16(12-7-3-1-4-8-12)15(18(24)19(20)25)17(23)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,21,22)
InChIKeyRKMPENPSCNQNRC-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.72
Rot. Bonds5

About 2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid

2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid (PubChem CID 24828116) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid
PubChem CID24828116
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C(=O)C(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H15NO5/c21-14(22)11-20-16(12-7-3-1-4-8-12)15(18(24)19(20)25)17(23)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,21,22)
InChIKeyRKMPENPSCNQNRC-UHFFFAOYSA-N
XLogP1.72
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-(4-fluorobenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 4056654
2-(1,4-dioxo-3-phenyl-3H-isoquinolin-2-yl)acetic acid
CID 82667689
4-benzoyl-5-(4-ethoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4753569
4-benzoyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylpyrrolidine-2,3-dione
CID 4747707
3-[2-(4-methoxyphenyl)-3-(4-methylbenzoyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
CID 4099421
4-benzoyl-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 4218140
1-[2-(diethylamino)ethyl]-4-(4-morpholin-4-ylsulfonylbenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 91897851
2-(6-oxo-2,3-diphenylpiperazin-1-yl)acetic acid
CID 576518
dimethyl-[3-[3-(4-methylbenzoyl)-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]propyl]azanium
CID 4756387
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595
1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione
CID 4248005

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid (CID 24828116) is 2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid is O=C(O)CN1C(=O)C(=O)C(C(=O)c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid?
The InChIKey is RKMPENPSCNQNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-14(22)11-20-16(12-7-3-1-4-8-12)15(18(24)19(20)25)17(23)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,21,22).
What are the key properties of 2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid?
2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid has a molecular weight of 337.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-2,3-dioxo-5-phenylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 24828116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).