2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid

C14H15NO5 — CID 103499601

IUPAC2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid
SMILESCC1C(=O)N(c2cccc(OCC(=O)O)c2)C(=O)C1C
InChIInChI=1S/C14H15NO5/c1-8-9(2)14(19)15(13(8)18)10-4-3-5-11(6-10)20-7-12(16)17/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeyCELOGGXHURBFTG-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.30
Rot. Bonds4

About 2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid

2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid (PubChem CID 103499601) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid
PubChem CID103499601
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid
SMILESCC1C(=O)N(c2cccc(OCC(=O)O)c2)C(=O)C1C
InChIInChI=1S/C14H15NO5/c1-8-9(2)14(19)15(13(8)18)10-4-3-5-11(6-10)20-7-12(16)17/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeyCELOGGXHURBFTG-UHFFFAOYSA-N
XLogP1.30
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.30
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

2-[3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]acetic acid
CID 63266368
2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid
CID 79695787
2-[3-(3-tert-butylazetidin-1-yl)phenoxy]acetic acid
CID 79694734
(3aS,7aS)-2-(3-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7275827
(3aS,7aS)-2-(3-phenacyloxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2292526
2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid
CID 103124324
2-[3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)phenoxy]ethanethioamide
CID 60792991
2-[3-(3-methyl-1,2,4-triazol-4-yl)phenoxy]acetic acid
CID 82513162
1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500279
2-(3-chlorosulfanylphenoxy)acetic acid
CID 19384692
(3aS,7aR)-5-methyl-2-(3-phenacyloxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1323187
2-[3-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4564131

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid (CID 103499601) is 2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid is CC1C(=O)N(c2cccc(OCC(=O)O)c2)C(=O)C1C.
What is the InChIKey of 2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid?
The InChIKey is CELOGGXHURBFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8-9(2)14(19)15(13(8)18)10-4-3-5-11(6-10)20-7-12(16)17/h3-6,8-9H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid?
2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid has a molecular weight of 277.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid is sourced from PubChem (CID 103499601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).