3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid

C17H14N2O6 — CID 17359001

IUPAC3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid
SMILESCc1occc1C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)O)C2=O
InChIInChI=1S/C17H14N2O6/c1-9-11(5-7-25-9)15(22)18-10-2-3-12-13(8-10)17(24)19(16(12)23)6-4-14(20)21/h2-3,5,7-8H,4,6H2,1H3,(H,18,22)(H,20,21)
InChIKeyUBUXGXKWOVDERH-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.91
Rot. Bonds5

About 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid

3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid (PubChem CID 17359001) has the molecular formula C17H14N2O6 and a molecular weight of 342.31 g/mol. Its IUPAC name is 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid
PubChem CID17359001
Molecular FormulaC17H14N2O6
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid
SMILESCc1occc1C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)O)C2=O
InChIInChI=1S/C17H14N2O6/c1-9-11(5-7-25-9)15(22)18-10-2-3-12-13(8-10)17(24)19(16(12)23)6-4-14(20)21/h2-3,5,7-8H,4,6H2,1H3,(H,18,22)(H,20,21)
InChIKeyUBUXGXKWOVDERH-UHFFFAOYSA-N
XLogP1.91
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712
3-[5-[2-(2-carboxyethyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]propanoic acid
CID 23907857
N'-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9326561
2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid
CID 94831603
3-[5-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid
CID 17360285
3-[5-[[2-(4-bromophenoxy)acetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid
CID 17297345
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]butanoic acid
CID 104501824
3-(5-methoxy-1,3-dioxoisoindol-2-yl)propanoic acid
CID 117031888
2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
CID 4174312
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
4-[(2-methylfuran-3-carbonyl)amino]butanoic acid
CID 16777160

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid?
The IUPAC name of 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid (CID 17359001) is 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid is Cc1occc1C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)O)C2=O.
What is the InChIKey of 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid?
The InChIKey is UBUXGXKWOVDERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6/c1-9-11(5-7-25-9)15(22)18-10-2-3-12-13(8-10)17(24)19(16(12)23)6-4-14(20)21/h2-3,5,7-8H,4,6H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid?
3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid has a molecular weight of 342.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid is sourced from PubChem (CID 17359001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).