(2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate

C15H23N5O6 — CID 89272011

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate
SMILESCCN1CCN(C)C1C(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H23N5O6/c1-3-19-7-6-18(2)15(19)14(25)17-8-10(21)16-9-13(24)26-20-11(22)4-5-12(20)23/h15H,3-9H2,1-2H3,(H,16,21)(H,17,25)
InChIKeyXLYMZGIONMHEIM-UHFFFAOYSA-N
MW369.38 g/mol
LogP-2.58
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate (PubChem CID 89272011) has the molecular formula C15H23N5O6 and a molecular weight of 369.38 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate
PubChem CID89272011
Molecular FormulaC15H23N5O6
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate
SMILESCCN1CCN(C)C1C(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H23N5O6/c1-3-19-7-6-18(2)15(19)14(25)17-8-10(21)16-9-13(24)26-20-11(22)4-5-12(20)23/h15H,3-9H2,1-2H3,(H,16,21)(H,17,25)
InChIKeyXLYMZGIONMHEIM-UHFFFAOYSA-N
XLogP-2.58
TPSA128.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 5-2.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', '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-[(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-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;pentane
CID 144985124
(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate
CID 102050473
CID 20768516
CID 20768516
(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
CID 21014625
(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate
CID 161498106
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-6-yl)acetyl]amino]acetyl]amino]acetate
CID 20685131
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-di((113C)methyl)-(2,3,5,6-13C4)1,4-diazinan-2-yl]-2-methylpropanoyl]amino]propanoyl(15N)amino](113C)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-di((113C)methyl)-(2,3,5,6-13C4,1,4-15N2)1,4-diazinan-2-yl]-2-methylpropanoyl]amino]propanoylamino]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-di((113C)methyl)-(2,3,5,6-13C4,415N)1,4-diazinan-2-yl]-2-methylpropanoyl]amino]propanoyl(15N)amino](113C)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-di((113C)methyl)-(2,3,6-13C3,1,4-15N2)1,4-diazinan-2-yl]-2-methylpropanoyl]amino]propanoyl(15N)amino](113C)propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[3-[[2-[1,4-di((113C)methyl)-(2,5,6-13C3,415N)1,4-diazinan-2-yl]-2-methylpropanoyl]amino]propanoyl(15N)amino](113C)propanoate
CID 158941583

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate (CID 89272011) is (2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate is CCN1CCN(C)C1C(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate?
The InChIKey is XLYMZGIONMHEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O6/c1-3-19-7-6-18(2)15(19)14(25)17-8-10(21)16-9-13(24)26-20-11(22)4-5-12(20)23/h15H,3-9H2,1-2H3,(H,16,21)(H,17,25).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate has a molecular weight of 369.38 g/mol, XLogP of -2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[[2-[(1-ethyl-3-methylimidazolidine-2-carbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 89272011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).