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

C14H23NO3 — CID 16665735

IUPAC(3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1C[C@@H]([C@@H]2C[C@@H](C(C)C)C(=O)O2)NC1=O
InChIInChI=1S/C14H23NO3/c1-7(2)9-5-11(15-13(9)16)12-6-10(8(3)4)14(17)18-12/h7-12H,5-6H2,1-4H3,(H,15,16)/t9-,10-,11-,12-/m0/s1
InChIKeyYKSBHSHXCIZLOI-BJDJZHNGSA-N
MW253.34 g/mol
LogP1.73
Rot. Bonds3

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

(3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one (PubChem CID 16665735) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one
PubChem CID16665735
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1C[C@@H]([C@@H]2C[C@@H](C(C)C)C(=O)O2)NC1=O
InChIInChI=1S/C14H23NO3/c1-7(2)9-5-11(15-13(9)16)12-6-10(8(3)4)14(17)18-12/h7-12H,5-6H2,1-4H3,(H,15,16)/t9-,10-,11-,12-/m0/s1
InChIKeyYKSBHSHXCIZLOI-BJDJZHNGSA-N
XLogP1.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one (CID 16665735) is (3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3S,5S)-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]([C@@H]2C[C@@H](C(C)C)C(=O)O2)NC1=O.
What is the InChIKey of (3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is YKSBHSHXCIZLOI-BJDJZHNGSA-N. The full InChI is InChI=1S/C14H23NO3/c1-7(2)9-5-11(15-13(9)16)12-6-10(8(3)4)14(17)18-12/h7-12H,5-6H2,1-4H3,(H,15,16)/t9-,10-,11-,12-/m0/s1.
What are the key properties of (3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one?
(3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 253.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 16665735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).