3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid

C15H15NO5 — CID 3120999

IUPAC3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H15NO5/c1-20-11-6-4-10(5-7-11)12(9-14(17)18)16-15(19)13-3-2-8-21-13/h2-8,12H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyYVOZBHZIECSAFS-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.23
Rot. Bonds6

About 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid

3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid (PubChem CID 3120999) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid
PubChem CID3120999
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H15NO5/c1-20-11-6-4-10(5-7-11)12(9-14(17)18)16-15(19)13-3-2-8-21-13/h2-8,12H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyYVOZBHZIECSAFS-UHFFFAOYSA-N
XLogP2.23
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid (CID 3120999) is 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid is COc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1.
What is the InChIKey of 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is YVOZBHZIECSAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-20-11-6-4-10(5-7-11)12(9-14(17)18)16-15(19)13-3-2-8-21-13/h2-8,12H,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid?
3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 289.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 3120999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).