(3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one

C15H25NO3 — CID 59546442

IUPAC(3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1C[C@@H](C2C[C@@H](C(C)C)C(=O)N2C)OC1=O
InChIInChI=1S/C15H25NO3/c1-8(2)10-6-12(16(5)14(10)17)13-7-11(9(3)4)15(18)19-13/h8-13H,6-7H2,1-5H3/t10-,11-,12?,13-/m0/s1
InChIKeyOKKNOJXTMFTEFY-XYIZDEMUSA-N
MW267.37 g/mol
LogP2.08
Rot. Bonds3

About (3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one

(3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one (PubChem CID 59546442) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one
PubChem CID59546442
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1C[C@@H](C2C[C@@H](C(C)C)C(=O)N2C)OC1=O
InChIInChI=1S/C15H25NO3/c1-8(2)10-6-12(16(5)14(10)17)13-7-11(9(3)4)15(18)19-13/h8-13H,6-7H2,1-5H3/t10-,11-,12?,13-/m0/s1
InChIKeyOKKNOJXTMFTEFY-XYIZDEMUSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-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-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one (CID 59546442) is (3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one is CC(C)[C@@H]1C[C@@H](C2C[C@@H](C(C)C)C(=O)N2C)OC1=O.
What is the InChIKey of (3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is OKKNOJXTMFTEFY-XYIZDEMUSA-N. The full InChI is InChI=1S/C15H25NO3/c1-8(2)10-6-12(16(5)14(10)17)13-7-11(9(3)4)15(18)19-13/h8-13H,6-7H2,1-5H3/t10-,11-,12?,13-/m0/s1.
What are the key properties of (3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?
(3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 59546442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).