3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid

C19H15FN2O6 — CID 17360285

IUPAC3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid
SMILESO=C(O)CCN1C(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C19H15FN2O6/c20-11-1-4-13(5-2-11)28-10-16(23)21-12-3-6-14-15(9-12)19(27)22(18(14)26)8-7-17(24)25/h1-6,9H,7-8,10H2,(H,21,23)(H,24,25)
InChIKeyRZBPWDSIKNEDOP-UHFFFAOYSA-N
MW386.34 g/mol
LogP1.91
Rot. Bonds7

About 3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid

3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid (PubChem CID 17360285) has the molecular formula C19H15FN2O6 and a molecular weight of 386.34 g/mol. Its IUPAC name is 3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid
PubChem CID17360285
Molecular FormulaC19H15FN2O6
Molecular Weight386.34 g/mol
Exact Mass386.09
IUPAC Name3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid
SMILESO=C(O)CCN1C(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C19H15FN2O6/c20-11-1-4-13(5-2-11)28-10-16(23)21-12-3-6-14-15(9-12)19(27)22(18(14)26)8-7-17(24)25/h1-6,9H,7-8,10H2,(H,21,23)(H,24,25)
InChIKeyRZBPWDSIKNEDOP-UHFFFAOYSA-N
XLogP1.91
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[[2-(4-bromophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid
CID 17297345
2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32744375
3-(5-methoxy-1,3-dioxoisoindol-2-yl)propanoic acid
CID 117031888
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide
CID 113202399
3-[5-[2-(2-carboxyethyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]propanoic acid
CID 23907857
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-phenoxyacetamide
CID 2936153
N-(1,3-dioxoisoindol-5-yl)-2-phenoxyacetamide
CID 881938
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide
CID 113202381
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxyacetamide
CID 2885505

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid?
The IUPAC name of 3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid (CID 17360285) is 3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid is O=C(O)CCN1C(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of 3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid?
The InChIKey is RZBPWDSIKNEDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O6/c20-11-1-4-13(5-2-11)28-10-16(23)21-12-3-6-14-15(9-12)19(27)22(18(14)26)8-7-17(24)25/h1-6,9H,7-8,10H2,(H,21,23)(H,24,25).
What are the key properties of 3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid?
3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid has a molecular weight of 386.34 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid is sourced from PubChem (CID 17360285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).