[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium

C15H19N2O5+ — CID 4090695

IUPAC[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
SMILESCCOc1ccc(N2C(=O)CC([NH2+]CC(=O)OC)C2=O)cc1
InChIInChI=1S/C15H18N2O5/c1-3-22-11-6-4-10(5-7-11)17-13(18)8-12(15(17)20)16-9-14(19)21-2/h4-7,12,16H,3,8-9H2,1-2H3/p+1
InChIKeyGUKWKFGUBWNPRM-UHFFFAOYSA-O
MW307.33 g/mol
LogP-0.55
Rot. Bonds6

About [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium

[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium (PubChem CID 4090695) has the molecular formula C15H19N2O5+ and a molecular weight of 307.33 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
PubChem CID4090695
Molecular FormulaC15H19N2O5+
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
SMILESCCOc1ccc(N2C(=O)CC([NH2+]CC(=O)OC)C2=O)cc1
InChIInChI=1S/C15H18N2O5/c1-3-22-11-6-4-10(5-7-11)17-13(18)8-12(15(17)20)16-9-14(19)21-2/h4-7,12,16H,3,8-9H2,1-2H3/p+1
InChIKeyGUKWKFGUBWNPRM-UHFFFAOYSA-O
XLogP-0.55
TPSA89.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
CID 4073531
[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
CID 6923125
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6968752
(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium
CID 7034592
methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 2872639
[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-ethoxy-2-oxoethyl)azanium
CID 6966599
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6944402
(2,4-dichlorophenyl)methyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279544
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-thiophen-2-ylethyl)azanium
CID 7057836
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium
CID 7380591
(3-chlorophenyl)methyl-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7448625

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium?
The IUPAC name of [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium (CID 4090695) is [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium.
What is the SMILES notation for [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium?
The canonical SMILES for [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium is CCOc1ccc(N2C(=O)CC([NH2+]CC(=O)OC)C2=O)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium?
The InChIKey is GUKWKFGUBWNPRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2O5/c1-3-22-11-6-4-10(5-7-11)17-13(18)8-12(15(17)20)16-9-14(19)21-2/h4-7,12,16H,3,8-9H2,1-2H3/p+1.
What are the key properties of [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium?
[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium has a molecular weight of 307.33 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium is sourced from PubChem (CID 4090695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).