[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium

C10H16N3O6Y- — CID 169179109

IUPAC[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
SMILESCCO.[NH-]CC(=O)NCC(=O)ON1C(=O)CCC1=O.[Y]
InChIInChI=1S/C8H10N3O5.C2H6O.Y/c9-3-5(12)10-4-8(15)16-11-6(13)1-2-7(11)14;1-2-3;/h9H,1-4H2,(H,10,12);3H,2H2,1H3;/q-1;;
InChIKeyLPFMKPGXMFSALO-UHFFFAOYSA-N
MW363.16 g/mol
LogP-1.24
Rot. Bonds4

About [2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium

[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium (PubChem CID 169179109) has the molecular formula C10H16N3O6Y- and a molecular weight of 363.16 g/mol. Its IUPAC name is [2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium.

Molecular Properties

Compound Name[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
PubChem CID169179109
Molecular FormulaC10H16N3O6Y-
Molecular Weight363.16 g/mol
Exact Mass363.01
IUPAC Name[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
SMILESCCO.[NH-]CC(=O)NCC(=O)ON1C(=O)CCC1=O.[Y]
InChIInChI=1S/C8H10N3O5.C2H6O.Y/c9-3-5(12)10-4-8(15)16-11-6(13)1-2-7(11)14;1-2-3;/h9H,1-4H2,(H,10,12);3H,2H2,1H3;/q-1;;
InChIKeyLPFMKPGXMFSALO-UHFFFAOYSA-N
XLogP-1.24
TPSA136.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
(2,5-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) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
(2,5-dioxopyrrolidin-1-yl) 2-[3-(2-oxopentylsulfinyl)propanoylamino]acetate
CID 161498106
(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) 2-formamidoacetate
CID 59502327
(2,5-dioxopyrrolidin-1-yl) 2-[[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 170201566
(2,5-dioxopyrrolidin-1-yl) 2-(cyclopenta-2,4-diene-1-carbonylamino)acetate
CID 102050473

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium?
The IUPAC name of [2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium (CID 169179109) is [2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium.
What is the SMILES notation for [2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium?
The canonical SMILES for [2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium is CCO.[NH-]CC(=O)NCC(=O)ON1C(=O)CCC1=O.[Y].
What is the InChIKey of [2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium?
The InChIKey is LPFMKPGXMFSALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3O5.C2H6O.Y/c9-3-5(12)10-4-8(15)16-11-6(13)1-2-7(11)14;1-2-3;/h9H,1-4H2,(H,10,12);3H,2H2,1H3;/q-1;;.
What are the key properties of [2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium?
[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium has a molecular weight of 363.16 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium is sourced from PubChem (CID 169179109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).