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

C17H23N2O4+ — CID 6988170

IUPACdiethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCC[NH+](CC)[C@@H]1CC(=O)N(c2ccc(CC(=O)OC)cc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-4-18(5-2)14-11-15(20)19(17(14)22)13-8-6-12(7-9-13)10-16(21)23-3/h6-9,14H,4-5,10-11H2,1-3H3/p+1/t14-/m1/s1
InChIKeyLZMZMUIFKLCTPC-CQSZACIVSA-O
MW319.38 g/mol
LogP-0.04
Rot. Bonds6

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

diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium (PubChem CID 6988170) has the molecular formula C17H23N2O4+ and a molecular weight of 319.38 g/mol. Its IUPAC name is diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Namediethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium
PubChem CID6988170
Molecular FormulaC17H23N2O4+
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Namediethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium
SMILESCC[NH+](CC)[C@@H]1CC(=O)N(c2ccc(CC(=O)OC)cc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-4-18(5-2)14-11-15(20)19(17(14)22)13-8-6-12(7-9-13)10-16(21)23-3/h6-9,14H,4-5,10-11H2,1-3H3/p+1/t14-/m1/s1
InChIKeyLZMZMUIFKLCTPC-CQSZACIVSA-O
XLogP-0.04
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-1-[4-(2-butoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-diethylazanium
CID 7323110
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434876
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434877
[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium
CID 7303462
2-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 54905077
3-methyl-1-[4-(3-methyl-2-oxobutyl)phenyl]pyrrolidine-2,5-dione
CID 126704529
butyl 2-[4-[(3R)-2,5-dioxo-3-piperidin-1-ylpyrrolidin-1-yl]phenyl]acetate
CID 7323121
butyl 2-[4-[(3S)-2,5-dioxo-3-piperidin-1-ylpyrrolidin-1-yl]phenyl]acetate
CID 7323119
methyl 1-[4-(2-methoxy-2-oxoethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693290
ethyl 2-[4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]phenyl]acetate
CID 7323104
[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium
CID 6947342
2-[4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetamide
CID 166462610

Frequently Asked Questions

What is the IUPAC name of diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium?
The IUPAC name of diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium (CID 6988170) is diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium.
What is the SMILES notation for diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium?
The canonical SMILES for diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium is CC[NH+](CC)[C@@H]1CC(=O)N(c2ccc(CC(=O)OC)cc2)C1=O.
What is the InChIKey of diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium?
The InChIKey is LZMZMUIFKLCTPC-CQSZACIVSA-O. The full InChI is InChI=1S/C17H22N2O4/c1-4-18(5-2)14-11-15(20)19(17(14)22)13-8-6-12(7-9-13)10-16(21)23-3/h6-9,14H,4-5,10-11H2,1-3H3/p+1/t14-/m1/s1.
What are the key properties of diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium?
diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium has a molecular weight of 319.38 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 6988170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).