2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid

C13H15F2NO4 — CID 68832723

IUPAC2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid
SMILESCCCC(C(=O)O)N(C(=O)CO)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO4/c1-2-3-11(13(19)20)16(12(18)7-17)10-5-4-8(14)6-9(10)15/h4-6,11,17H,2-3,7H2,1H3,(H,19,20)
InChIKeyUTIXFDPUSHGEMH-UHFFFAOYSA-N
MW287.26 g/mol
LogP1.54
Rot. Bonds6

About 2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid

2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid (PubChem CID 68832723) has the molecular formula C13H15F2NO4 and a molecular weight of 287.26 g/mol. Its IUPAC name is 2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid.

Molecular Properties

Compound Name2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid
PubChem CID68832723
Molecular FormulaC13H15F2NO4
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Name2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid
SMILESCCCC(C(=O)O)N(C(=O)CO)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO4/c1-2-3-11(13(19)20)16(12(18)7-17)10-5-4-8(14)6-9(10)15/h4-6,11,17H,2-3,7H2,1H3,(H,19,20)
InChIKeyUTIXFDPUSHGEMH-UHFFFAOYSA-N
XLogP1.54
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic 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-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid?
The IUPAC name of 2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid (CID 68832723) is 2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid.
What is the SMILES notation for 2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid?
The canonical SMILES for 2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid is CCCC(C(=O)O)N(C(=O)CO)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid?
The InChIKey is UTIXFDPUSHGEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4/c1-2-3-11(13(19)20)16(12(18)7-17)10-5-4-8(14)6-9(10)15/h4-6,11,17H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid?
2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid has a molecular weight of 287.26 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid is sourced from PubChem (CID 68832723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).