5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

C14H19NO4 — CID 120822701

IUPAC5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCCN(C(=O)c1cc(C(=O)O)c(CC)o1)C1CC1
InChIInChI=1S/C14H19NO4/c1-3-7-15(9-5-6-9)13(16)12-8-10(14(17)18)11(4-2)19-12/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyYIEPPWNOFWRDIS-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.55
Rot. Bonds6

About 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120822701) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120822701
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCCN(C(=O)c1cc(C(=O)O)c(CC)o1)C1CC1
InChIInChI=1S/C14H19NO4/c1-3-7-15(9-5-6-9)13(16)12-8-10(14(17)18)11(4-2)19-12/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyYIEPPWNOFWRDIS-UHFFFAOYSA-N
XLogP2.55
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic 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 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120822701) is 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is CCCN(C(=O)c1cc(C(=O)O)c(CC)o1)C1CC1.
What is the InChIKey of 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is YIEPPWNOFWRDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-7-15(9-5-6-9)13(16)12-8-10(14(17)18)11(4-2)19-12/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).