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

C14H17NO4 — CID 67049082

IUPAC(3R,4S)-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-/m0/s1
InChIKeyMHPDCPMZYWJSJJ-RYUDHWBXSA-N
MW263.29 g/mol
LogP1.90
Rot. Bonds3

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

(3R,4S)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione (PubChem CID 67049082) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3R,4S)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione
PubChem CID67049082
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3R,4S)-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-/m0/s1
InChIKeyMHPDCPMZYWJSJJ-RYUDHWBXSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione (CID 67049082) is (3R,4S)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-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 (3R,4S)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione?
The InChIKey is MHPDCPMZYWJSJJ-RYUDHWBXSA-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-/m0/s1.
What are the key properties of (3R,4S)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione?
(3R,4S)-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 (3R,4S)-1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 67049082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).