2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid

C12H17NO4 — CID 114818973

IUPAC2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1coc(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C12H17NO4/c1-5-13(12(3,4)11(15)16)10(14)9-6-8(2)17-7-9/h6-7H,5H2,1-4H3,(H,15,16)
InChIKeyYHDZEBPREYHWCX-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.91
Rot. Bonds4

About 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid

2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 114818973) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID114818973
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1coc(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C12H17NO4/c1-5-13(12(3,4)11(15)16)10(14)9-6-8(2)17-7-9/h6-7H,5H2,1-4H3,(H,15,16)
InChIKeyYHDZEBPREYHWCX-UHFFFAOYSA-N
XLogP1.91
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic 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 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid (CID 114818973) is 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid is CCN(C(=O)c1coc(C)c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is YHDZEBPREYHWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-5-13(12(3,4)11(15)16)10(14)9-6-8(2)17-7-9/h6-7H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(5-methylfuran-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114818973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).