2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid

C15H13FN2O5 — CID 176908233

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1F)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H13FN2O5/c16-13-7(5-12(20)21)1-2-8-9(13)6-18(15(8)23)10-3-4-11(19)17-14(10)22/h1-2,10H,3-6H2,(H,20,21)(H,17,19,22)
InChIKeyVWAPNKYURYYNDB-UHFFFAOYSA-N
MW320.28 g/mol
LogP0.21
Rot. Bonds3

About 2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid

2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid (PubChem CID 176908233) has the molecular formula C15H13FN2O5 and a molecular weight of 320.28 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid
PubChem CID176908233
Molecular FormulaC15H13FN2O5
Molecular Weight320.28 g/mol
Exact Mass320.08
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1F)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H13FN2O5/c16-13-7(5-12(20)21)1-2-8-9(13)6-18(15(8)23)10-3-4-11(19)17-14(10)22/h1-2,10H,3-6H2,(H,20,21)(H,17,19,22)
InChIKeyVWAPNKYURYYNDB-UHFFFAOYSA-N
XLogP0.21
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
CID 177262442
4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
CID 177262387
4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
CID 177262438
4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanoic acid
CID 156735808
N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 177262422
3-[7-fluoro-3-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169206578
1-(5-chloro-2-fluoro-3-propan-2-ylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 172547402
N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
CID 168872213
3-[6-[(4-benzhydryl-3,3-dimethylpiperazin-1-yl)methyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171828947
3-[6-[[(1R,2S)-2-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylamino)cyclohexyl]methyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169067856
4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynoic acid
CID 167273690
3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]propanoic acid
CID 151909343

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid (CID 176908233) is 2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid is O=C(O)Cc1ccc2c(c1F)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid?
The InChIKey is VWAPNKYURYYNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O5/c16-13-7(5-12(20)21)1-2-8-9(13)6-18(15(8)23)10-3-4-11(19)17-14(10)22/h1-2,10H,3-6H2,(H,20,21)(H,17,19,22).
What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid?
2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid has a molecular weight of 320.28 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid is sourced from PubChem (CID 176908233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).