6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid

C15H23NO4 — CID 65285809

IUPAC6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
SMILESCCc1ccc(C(=O)NC(C)CCCC(C)C(=O)O)o1
InChIInChI=1S/C15H23NO4/c1-4-12-8-9-13(20-12)14(17)16-11(3)7-5-6-10(2)15(18)19/h8-11H,4-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLKCLXRJAVYEJRE-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.85
Rot. Bonds8

About 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid

6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid (PubChem CID 65285809) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
PubChem CID65285809
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
SMILESCCc1ccc(C(=O)NC(C)CCCC(C)C(=O)O)o1
InChIInChI=1S/C15H23NO4/c1-4-12-8-9-13(20-12)14(17)16-11(3)7-5-6-10(2)15(18)19/h8-11H,4-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLKCLXRJAVYEJRE-UHFFFAOYSA-N
XLogP2.85
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic 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 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid (CID 65285809) is 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid is CCc1ccc(C(=O)NC(C)CCCC(C)C(=O)O)o1.
What is the InChIKey of 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid?
The InChIKey is LKCLXRJAVYEJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-12-8-9-13(20-12)14(17)16-11(3)7-5-6-10(2)15(18)19/h8-11H,4-7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid?
6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65285809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).