3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid

C11H11F2NO4 — CID 43170635

IUPAC3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO4/c12-7-1-2-9(8(13)5-7)18-6-10(15)14-4-3-11(16)17/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyBEURPCKKXYVNRS-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.93
Rot. Bonds6

About 3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid

3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid (PubChem CID 43170635) has the molecular formula C11H11F2NO4 and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
PubChem CID43170635
Molecular FormulaC11H11F2NO4
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO4/c12-7-1-2-9(8(13)5-7)18-6-10(15)14-4-3-11(16)17/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyBEURPCKKXYVNRS-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107318520
3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid
CID 82294566
4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]butanoic acid
CID 43239243
5-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682587
(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833775
2-(2,4-difluorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 31971931
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 119619857
3-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672095
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid (CID 43170635) is 3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)COc1ccc(F)cc1F.
What is the InChIKey of 3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid?
The InChIKey is BEURPCKKXYVNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO4/c12-7-1-2-9(8(13)5-7)18-6-10(15)14-4-3-11(16)17/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17).
What are the key properties of 3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid?
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid has a molecular weight of 259.21 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 43170635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).