2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid

C11H9NO4 — CID 161371718

IUPAC2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid
SMILESO=C1CC(C(=O)O)(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H9NO4/c13-8-6-11(10(15)16,9(14)12-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,12,13,14)
InChIKeyVQNVXTGRNGXJJO-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.06
Rot. Bonds2

About 2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid

2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid (PubChem CID 161371718) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid
PubChem CID161371718
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid
SMILESO=C1CC(C(=O)O)(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H9NO4/c13-8-6-11(10(15)16,9(14)12-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,12,13,14)
InChIKeyVQNVXTGRNGXJJO-UHFFFAOYSA-N
XLogP0.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-3-phenylpyrrolidine-2,5-dione
CID 2843283
3-hydroxy-3-phenylpyrrolidine-2,5-dione;methanesulfonic acid
CID 87188920
3-hydroxy-3-[(3-hydroxy-2,5-dioxopyrrolidin-3-yl)-phenylmethyl]pyrrolidine-2,5-dione
CID 91344865
2-oxo-3-phenylazepane-3-carboxamide
CID 14763630
2-phenyl-1,3-dihydroindene-2-carboxylic acid
CID 15055778
(4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid
CID 10679745
1-phenylcyclohexa-2,5-diene-1-carboxylic acid
CID 11481068
(2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid
CID 174965162
(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid
CID 10536224
3-benzhydryl-3-methylpyrrolidine-2,5-dione
CID 43155393
2,2-diphenylcyclopropane-1,1-dicarboxylic acid
CID 18401961
4,4-diphenylcyclopentane-1,2-dione
CID 15724710

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid (CID 161371718) is 2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid is O=C1CC(C(=O)O)(c2ccccc2)C(=O)N1.
What is the InChIKey of 2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is VQNVXTGRNGXJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-8-6-11(10(15)16,9(14)12-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,12,13,14).
What are the key properties of 2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid?
2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 161371718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).