(2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate

C11H12N2O6 — CID 98464322

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
SMILESCOc1cc(CCC(=O)ON2C(=O)CCC2=O)on1
InChIInChI=1S/C11H12N2O6/c1-17-8-6-7(18-12-8)2-5-11(16)19-13-9(14)3-4-10(13)15/h6H,2-5H2,1H3
InChIKeyJJFHUVIHFRFMHM-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.22
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate (PubChem CID 98464322) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
PubChem CID98464322
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
SMILESCOc1cc(CCC(=O)ON2C(=O)CCC2=O)on1
InChIInChI=1S/C11H12N2O6/c1-17-8-6-7(18-12-8)2-5-11(16)19-13-9(14)3-4-10(13)15/h6H,2-5H2,1H3
InChIKeyJJFHUVIHFRFMHM-UHFFFAOYSA-N
XLogP0.22
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methylphenyl)propanoate
CID 88510244
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
[2-(trifluoromethyl)phenyl]methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
CID 166242568
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-oxobutyl)phenyl]propanoate
CID 160984020
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 91636635
(2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 118063076
12-(3-methoxy-1,2-oxazol-5-yl)dodecane-2,6-dione
CID 155198904
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51340983
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 89254876
methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate
CID 155293526

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate (CID 98464322) is (2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate is COc1cc(CCC(=O)ON2C(=O)CCC2=O)on1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
The InChIKey is JJFHUVIHFRFMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c1-17-8-6-7(18-12-8)2-5-11(16)19-13-9(14)3-4-10(13)15/h6H,2-5H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate has a molecular weight of 268.22 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(3-methoxy-1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 98464322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).