(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate

C14H20N2O7S — CID 161498106

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate
SMILESCCCC(=O)CS(=O)CCC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H20N2O7S/c1-2-3-10(17)9-24(22)7-6-11(18)15-8-14(21)23-16-12(19)4-5-13(16)20/h2-9H2,1H3,(H,15,18)
InChIKeyNYESPJBRKFKBTO-UHFFFAOYSA-N
MW360.39 g/mol
LogP-0.78
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate (PubChem CID 161498106) has the molecular formula C14H20N2O7S and a molecular weight of 360.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate
PubChem CID161498106
Molecular FormulaC14H20N2O7S
Molecular Weight360.39 g/mol
Exact Mass360.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate
SMILESCCCC(=O)CS(=O)CCC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H20N2O7S/c1-2-3-10(17)9-24(22)7-6-11(18)15-8-14(21)23-16-12(19)4-5-13(16)20/h2-9H2,1H3,(H,15,18)
InChIKeyNYESPJBRKFKBTO-UHFFFAOYSA-N
XLogP-0.78
TPSA126.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate
CID 131842713
[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
CID 169179109
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 138700216
(2,5-dioxopyrrolidin-1-yl) 3-[3-[2-(3,5-dimethylmorpholin-4-yl)-2-oxoethyl]sulfinylpropanoylamino]propanoate
CID 152820154
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane
CID 144985124
CID 20768516
CID 20768516
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 129271799
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
CID 21014625
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate
CID 89272011
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate (CID 161498106) is (2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate is CCCC(=O)CS(=O)CCC(=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate?
The InChIKey is NYESPJBRKFKBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O7S/c1-2-3-10(17)9-24(22)7-6-11(18)15-8-14(21)23-16-12(19)4-5-13(16)20/h2-9H2,1H3,(H,15,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate has a molecular weight of 360.39 g/mol, XLogP of -0.78, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate is sourced from PubChem (CID 161498106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).