4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide

C13H24N2O3S — CID 155444676

IUPAC4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C)(C)SC1CC(O)N(CCCC(N)=O)C1=O
InChIInChI=1S/C13H24N2O3S/c1-4-13(2,3)19-9-8-11(17)15(12(9)18)7-5-6-10(14)16/h9,11,17H,4-8H2,1-3H3,(H2,14,16)
InChIKeyWXFZRKWWVNKDLB-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.09
Rot. Bonds7

About 4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide

4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 155444676) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID155444676
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C)(C)SC1CC(O)N(CCCC(N)=O)C1=O
InChIInChI=1S/C13H24N2O3S/c1-4-13(2,3)19-9-8-11(17)15(12(9)18)7-5-6-10(14)16/h9,11,17H,4-8H2,1-3H3,(H2,14,16)
InChIKeyWXFZRKWWVNKDLB-UHFFFAOYSA-N
XLogP1.09
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide (CID 155444676) is 4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide is CCC(C)(C)SC1CC(O)N(CCCC(N)=O)C1=O.
What is the InChIKey of 4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is WXFZRKWWVNKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-4-13(2,3)19-9-8-11(17)15(12(9)18)7-5-6-10(14)16/h9,11,17H,4-8H2,1-3H3,(H2,14,16).
What are the key properties of 4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide?
4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 288.41 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-hydroxy-3-(2-methylbutan-2-ylsulfanyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 155444676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).