(3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione

C14H17NO4 — CID 25067896

IUPAC(3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)C[C@H]1C(=O)N(O)C(=O)[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C14H17NO4/c1-8(2)7-11-12(14(18)15(19)13(11)17)9-3-5-10(16)6-4-9/h3-6,8,11-12,16,19H,7H2,1-2H3/t11-,12-/m1/s1
InChIKeyMHPDCPMZYWJSJJ-VXGBXAGGSA-N
MW263.29 g/mol
LogP1.90
Rot. Bonds3

About (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione

(3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione (PubChem CID 25067896) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione
PubChem CID25067896
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)C[C@H]1C(=O)N(O)C(=O)[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C14H17NO4/c1-8(2)7-11-12(14(18)15(19)13(11)17)9-3-5-10(16)6-4-9/h3-6,8,11-12,16,19H,7H2,1-2H3/t11-,12-/m1/s1
InChIKeyMHPDCPMZYWJSJJ-VXGBXAGGSA-N
XLogP1.90
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-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 (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione (CID 25067896) is (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione is CC(C)C[C@H]1C(=O)N(O)C(=O)[C@@H]1c1ccc(O)cc1.
What is the InChIKey of (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione?
The InChIKey is MHPDCPMZYWJSJJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8(2)7-11-12(14(18)15(19)13(11)17)9-3-5-10(16)6-4-9/h3-6,8,11-12,16,19H,7H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione?
(3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione has a molecular weight of 263.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 25067896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).