4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid

C15H23NO4 — CID 60826753

IUPAC4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
SMILESCc1oc(C)c(C(=O)N(CCCC(=O)O)C(C)C)c1C
InChIInChI=1S/C15H23NO4/c1-9(2)16(8-6-7-13(17)18)15(19)14-10(3)11(4)20-12(14)5/h9H,6-8H2,1-5H3,(H,17,18)
InChIKeyUUYQRDFWICUDLD-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.92
Rot. Bonds6

About 4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid

4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid (PubChem CID 60826753) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
PubChem CID60826753
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
SMILESCc1oc(C)c(C(=O)N(CCCC(=O)O)C(C)C)c1C
InChIInChI=1S/C15H23NO4/c1-9(2)16(8-6-7-13(17)18)15(19)14-10(3)11(4)20-12(14)5/h9H,6-8H2,1-5H3,(H,17,18)
InChIKeyUUYQRDFWICUDLD-UHFFFAOYSA-N
XLogP2.92
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid (CID 60826753) is 4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid is Cc1oc(C)c(C(=O)N(CCCC(=O)O)C(C)C)c1C.
What is the InChIKey of 4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
The InChIKey is UUYQRDFWICUDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-9(2)16(8-6-7-13(17)18)15(19)14-10(3)11(4)20-12(14)5/h9H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid?
4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 60826753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).