(3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one

C20H32N2O4 — CID 39352606

IUPAC(3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one
SMILESO=C1[C@H](O)[C@H]([C@@]2(O)CCN(C3CCCCC3)C2=O)CN1C1CCCCC1
InChIInChI=1S/C20H32N2O4/c23-17-16(13-22(18(17)24)15-9-5-2-6-10-15)20(26)11-12-21(19(20)25)14-7-3-1-4-8-14/h14-17,23,26H,1-13H2/t16-,17-,20+/m1/s1
InChIKeyFHFZBFZOCHKGFP-HLIPFELVSA-N
MW364.49 g/mol
LogP1.43
Rot. Bonds3

About (3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one

(3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one (PubChem CID 39352606) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one
PubChem CID39352606
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name(3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one
SMILESO=C1[C@H](O)[C@H]([C@@]2(O)CCN(C3CCCCC3)C2=O)CN1C1CCCCC1
InChIInChI=1S/C20H32N2O4/c23-17-16(13-22(18(17)24)15-9-5-2-6-10-15)20(26)11-12-21(19(20)25)14-7-3-1-4-8-14/h14-17,23,26H,1-13H2/t16-,17-,20+/m1/s1
InChIKeyFHFZBFZOCHKGFP-HLIPFELVSA-N
XLogP1.43
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one 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)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one (CID 39352606) is (3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one is O=C1[C@H](O)[C@H]([C@@]2(O)CCN(C3CCCCC3)C2=O)CN1C1CCCCC1.
What is the InChIKey of (3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one?
The InChIKey is FHFZBFZOCHKGFP-HLIPFELVSA-N. The full InChI is InChI=1S/C20H32N2O4/c23-17-16(13-22(18(17)24)15-9-5-2-6-10-15)20(26)11-12-21(19(20)25)14-7-3-1-4-8-14/h14-17,23,26H,1-13H2/t16-,17-,20+/m1/s1.
What are the key properties of (3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one?
(3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one has a molecular weight of 364.49 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 39352606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).