3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid

C15H15NO4 — CID 63793514

IUPAC3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid
SMILESCc1occc1C(=O)NCCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-10-13(6-8-20-10)14(17)16-7-5-11-3-2-4-12(9-11)15(18)19/h2-4,6,8-9H,5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyVZAIAZDBDYYHKT-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.26
Rot. Bonds5

About 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid

3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid (PubChem CID 63793514) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid
PubChem CID63793514
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid
SMILESCc1occc1C(=O)NCCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-10-13(6-8-20-10)14(17)16-7-5-11-3-2-4-12(9-11)15(18)19/h2-4,6,8-9H,5,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyVZAIAZDBDYYHKT-UHFFFAOYSA-N
XLogP2.26
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic 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-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 75356313
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
CID 63795110
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
3-[2-[(3-methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 63795456
3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid
CID 120689485
3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
CID 63794940
3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid
CID 63795812
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300
3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093
3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 55235306
4-[(2-methylfuran-3-carbonyl)amino]butanoic acid
CID 16777160

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid (CID 63793514) is 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid is Cc1occc1C(=O)NCCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is VZAIAZDBDYYHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-13(6-8-20-10)14(17)16-7-5-11-3-2-4-12(9-11)15(18)19/h2-4,6,8-9H,5,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid?
3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 63793514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).