(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate

C14H15NO5 — CID 15690079

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO5/c1-19-11-5-2-10(3-6-11)4-9-14(18)20-15-12(16)7-8-13(15)17/h2-3,5-6H,4,7-9H2,1H3
InChIKeyZBTWSFHDZGKKEZ-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.24
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate (PubChem CID 15690079) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate
PubChem CID15690079
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO5/c1-19-11-5-2-10(3-6-11)4-9-14(18)20-15-12(16)7-8-13(15)17/h2-3,5-6H,4,7-9H2,1H3
InChIKeyZBTWSFHDZGKKEZ-UHFFFAOYSA-N
XLogP1.24
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate
CID 88510244
methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate
CID 155293526
(2,5-dioxopyrrolidin-1-yl) 3-[4-[(4-methoxyphenyl)-(trifluoromethylsulfonyloxy)-λ3-iodanyl]phenyl]propanoate
CID 140762257
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-oxobutyl)phenyl]propanoate
CID 160984020
lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide
CID 159293048
lithium;deuterioethyne;(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate;1-hydroxypyrrolidine-2,5-dione;methanol;3-(4-methoxyphenyl)propanoic acid;methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-(4-methoxyphenyl)propanoate;hydroxide
CID 159839216
(2,5-dioxopyrrolidin-1-yl) 3-[4-[acridin-9-yloxycarbonyl-(4-methoxyphenyl)sulfamoyl]phenyl]propanoate
CID 22076581
(2,5-dioxopyrrolidin-1-yl) 4-[4-[[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]-hydroxy-(4-methoxyphenyl)methyl]phenoxy]butanoate
CID 23069524
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
(2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
CID 98464322
sodium 1-[3-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
CID 25178233

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate (CID 15690079) is (2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate?
The InChIKey is ZBTWSFHDZGKKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-19-11-5-2-10(3-6-11)4-9-14(18)20-15-12(16)7-8-13(15)17/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate has a molecular weight of 277.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 15690079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).