3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide

C13H20N2O5S — CID 58571174

IUPAC3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide
SMILESCSC1CC(=O)N(CCCC(=O)CNC(=O)CCO)C1=O
InChIInChI=1S/C13H20N2O5S/c1-21-10-7-12(19)15(13(10)20)5-2-3-9(17)8-14-11(18)4-6-16/h10,16H,2-8H2,1H3,(H,14,18)
InChIKeyKRYGHRDNVVKWIL-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.68
Rot. Bonds9

About 3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide

3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide (PubChem CID 58571174) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide
PubChem CID58571174
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide
SMILESCSC1CC(=O)N(CCCC(=O)CNC(=O)CCO)C1=O
InChIInChI=1S/C13H20N2O5S/c1-21-10-7-12(19)15(13(10)20)5-2-3-9(17)8-14-11(18)4-6-16/h10,16H,2-8H2,1H3,(H,14,18)
InChIKeyKRYGHRDNVVKWIL-UHFFFAOYSA-N
XLogP-0.68
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide?
The IUPAC name of 3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide (CID 58571174) is 3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide?
The canonical SMILES for 3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide is CSC1CC(=O)N(CCCC(=O)CNC(=O)CCO)C1=O.
What is the InChIKey of 3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide?
The InChIKey is KRYGHRDNVVKWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-21-10-7-12(19)15(13(10)20)5-2-3-9(17)8-14-11(18)4-6-16/h10,16H,2-8H2,1H3,(H,14,18).
What are the key properties of 3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide?
3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide has a molecular weight of 316.38 g/mol, XLogP of -0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide is sourced from PubChem (CID 58571174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).