(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid

C11H8BrNO4 — CID 46206658

IUPAC(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C11H8BrNO4/c12-6-1-3-7(4-2-6)13-9(14)5-8(10(13)15)11(16)17/h1-4,8H,5H2,(H,16,17)/t8-/m1/s1
InChIKeyUUTFAFUYOSGSBW-MRVPVSSYSA-N
MW298.09 g/mol
LogP1.41
Rot. Bonds2

About (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid

(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid (PubChem CID 46206658) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid
PubChem CID46206658
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C11H8BrNO4/c12-6-1-3-7(4-2-6)13-9(14)5-8(10(13)15)11(16)17/h1-4,8H,5H2,(H,16,17)/t8-/m1/s1
InChIKeyUUTFAFUYOSGSBW-MRVPVSSYSA-N
XLogP1.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione
CID 3777582
ethyl 2-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetate
CID 51568637
2-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylpropanal
CID 71725303
N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
CID 1120045
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide
CID 23942980
[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-ethoxy-2-oxoethyl)azanium
CID 6966599
(3S)-3-[(E)-4-(4-bromophenyl)-2-oxobut-3-enyl]-1-phenylpyrrolidine-2,5-dione
CID 139259739
methyl 2-[[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710148
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
CID 23859194
(3R)-3-(azocan-1-ium-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 6960770
1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione
CID 2856358
(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
CID 706670

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid (CID 46206658) is (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid?
The InChIKey is UUTFAFUYOSGSBW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c12-6-1-3-7(4-2-6)13-9(14)5-8(10(13)15)11(16)17/h1-4,8H,5H2,(H,16,17)/t8-/m1/s1.
What are the key properties of (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid?
(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid has a molecular weight of 298.09 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 46206658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).