(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane

C19H30N4O8S — CID 144985124

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane
SMILESCC(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O.CCCCC
InChIInChI=1S/C14H18N4O8S.C5H12/c1-8(19)27-7-11(22)16-5-9(20)15-4-10(21)17-6-14(25)26-18-12(23)2-3-13(18)24;1-3-5-4-2/h2-7H2,1H3,(H,15,20)(H,16,22)(H,17,21);3-5H2,1-2H3
InChIKeyGMOZHKNMUMZSRV-UHFFFAOYSA-N
MW474.54 g/mol
LogP-0.58
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane

(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane (PubChem CID 144985124) has the molecular formula C19H30N4O8S and a molecular weight of 474.54 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane
PubChem CID144985124
Molecular FormulaC19H30N4O8S
Molecular Weight474.54 g/mol
Exact Mass474.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane
SMILESCC(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O.CCCCC
InChIInChI=1S/C14H18N4O8S.C5H12/c1-8(19)27-7-11(22)16-5-9(20)15-4-10(21)17-6-14(25)26-18-12(23)2-3-13(18)24;1-3-5-4-2/h2-7H2,1H3,(H,15,20)(H,16,22)(H,17,21);3-5H2,1-2H3
InChIKeyGMOZHKNMUMZSRV-UHFFFAOYSA-N
XLogP-0.58
TPSA168.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 138700216
(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate;propane
CID 144633595
(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-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate
CID 89272011
CID 20768516
CID 20768516
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate
CID 161498106
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
(2,5-dioxopyrrolidin-1-yl) 4-oxo-4-propylsulfanylbutanoate
CID 90193619
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane (CID 144985124) is (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane is CC(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O.CCCCC.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane?
The InChIKey is GMOZHKNMUMZSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O8S.C5H12/c1-8(19)27-7-11(22)16-5-9(20)15-4-10(21)17-6-14(25)26-18-12(23)2-3-13(18)24;1-3-5-4-2/h2-7H2,1H3,(H,15,20)(H,16,22)(H,17,21);3-5H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane?
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane has a molecular weight of 474.54 g/mol, XLogP of -0.58, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane is sourced from PubChem (CID 144985124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).