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 |
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| PubChem CID | 144985124 |
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| Molecular Formula | C19H30N4O8S |
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| Molecular Weight | 474.54 g/mol |
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| Exact Mass | 474.18 |
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| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane |
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| SMILES | CC(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O.CCCCC |
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| InChI | 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 |
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| InChIKey | GMOZHKNMUMZSRV-UHFFFAOYSA-N |
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| XLogP | -0.58 |
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| TPSA | 168.05 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 474.54 |
| LogP ≤ 5 | -0.58 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'} |
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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).