(4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione

C13H15BrNO5P — CID 118901607

IUPAC(4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione
SMILESCCOP(C)(=O)[C@H]1C(=O)N(O)C(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C13H15BrNO5P/c1-3-20-21(2,19)11-10(12(16)15(18)13(11)17)8-4-6-9(14)7-5-8/h4-7,10-11,18H,3H2,1-2H3/t10?,11-,21?/m1/s1
InChIKeyUKFKWTHEAIOADJ-RDEYACJDSA-N
MW376.14 g/mol
LogP2.60
Rot. Bonds4

About (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione

(4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione (PubChem CID 118901607) has the molecular formula C13H15BrNO5P and a molecular weight of 376.14 g/mol. Its IUPAC name is (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione
PubChem CID118901607
Molecular FormulaC13H15BrNO5P
Molecular Weight376.14 g/mol
Exact Mass374.99
IUPAC Name(4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione
SMILESCCOP(C)(=O)[C@H]1C(=O)N(O)C(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C13H15BrNO5P/c1-3-20-21(2,19)11-10(12(16)15(18)13(11)17)8-4-6-9(14)7-5-8/h4-7,10-11,18H,3H2,1-2H3/t10?,11-,21?/m1/s1
InChIKeyUKFKWTHEAIOADJ-RDEYACJDSA-N
XLogP2.60
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione (CID 118901607) is (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione is CCOP(C)(=O)[C@H]1C(=O)N(O)C(=O)C1c1ccc(Br)cc1.
What is the InChIKey of (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione?
The InChIKey is UKFKWTHEAIOADJ-RDEYACJDSA-N. The full InChI is InChI=1S/C13H15BrNO5P/c1-3-20-21(2,19)11-10(12(16)15(18)13(11)17)8-4-6-9(14)7-5-8/h4-7,10-11,18H,3H2,1-2H3/t10?,11-,21?/m1/s1.
What are the key properties of (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione?
(4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione has a molecular weight of 376.14 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-bromophenyl)-4-[ethoxy(methyl)phosphoryl]-1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 118901607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).