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

C14H15NO4 — CID 88510244

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO4/c1-10-2-4-11(5-3-10)6-9-14(18)19-15-12(16)7-8-13(15)17/h2-5H,6-9H2,1H3
InChIKeyCGPBGKPDKBITGM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.53
Rot. Bonds4

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

(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate (PubChem CID 88510244) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate
PubChem CID88510244
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO4/c1-10-2-4-11(5-3-10)6-9-14(18)19-15-12(16)7-8-13(15)17/h2-5H,6-9H2,1H3
InChIKeyCGPBGKPDKBITGM-UHFFFAOYSA-N
XLogP1.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate
CID 15690079
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-oxobutyl)phenyl]propanoate
CID 160984020
methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate
CID 155293526
bis(2,5-dioxopyrrolidin-1-yl) carbonate;(2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate
CID 162254315
(2,5-dioxopyrrolidin-1-yl) 5-(4-methylpyridin-1-ium-1-yl)pentanoate
CID 58915923
(2,5-dioxopyrrolidin-1-yl) 3-[4-[(4-methoxyphenyl)-(trifluoromethylsulfonyloxy)-λ3-iodanyl]phenyl]propanoate
CID 140762257
(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate
CID 58482193
[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl]boronic acid;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
CID 158081530
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 3-(4-azido-3-iodophenyl)propanoate
CID 71336701
(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
CID 19969059
(2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 118063076

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate (CID 88510244) is (2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate is Cc1ccc(CCC(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate?
The InChIKey is CGPBGKPDKBITGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-10-2-4-11(5-3-10)6-9-14(18)19-15-12(16)7-8-13(15)17/h2-5H,6-9H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate has a molecular weight of 261.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate is sourced from PubChem (CID 88510244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).