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

C15H19F2NO4 — CID 119190401

IUPAC3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)COc1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO4/c1-10(2)8-18(6-5-15(20)21)14(19)9-22-13-4-3-11(16)7-12(13)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,20,21)
InChIKeyYUEUKGGCWCEIPM-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.30
Rot. Bonds8

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

3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190401) has the molecular formula C15H19F2NO4 and a molecular weight of 315.32 g/mol. Its IUPAC name is 3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
PubChem CID119190401
Molecular FormulaC15H19F2NO4
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)COc1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO4/c1-10(2)8-18(6-5-15(20)21)14(19)9-22-13-4-3-11(16)7-12(13)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,20,21)
InChIKeyYUEUKGGCWCEIPM-UHFFFAOYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,4-difluorophenoxy)acetyl]-ethylamino]propanoic acid
CID 61007298
3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190370
3-[4-(4-fluorophenoxy)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190522
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 78790507
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
3-[[2-(3-bromophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119189919
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
methyl 4-[[2-(2,4-difluorophenoxy)acetyl]-methylamino]butanoate
CID 60736752
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide
CID 120886664
3-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672095

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid (CID 119190401) is 3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)COc1ccc(F)cc1F.
What is the InChIKey of 3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid?
The InChIKey is YUEUKGGCWCEIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4/c1-10(2)8-18(6-5-15(20)21)14(19)9-22-13-4-3-11(16)7-12(13)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid?
3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid has a molecular weight of 315.32 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).