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

C15H20FNO4 — CID 119190370

IUPAC3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H20FNO4/c1-11(2)9-17(8-7-15(19)20)14(18)10-21-13-5-3-12(16)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,19,20)
InChIKeyUCKIYEPTOJSRPH-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.16
Rot. Bonds8

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

3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190370) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
PubChem CID119190370
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H20FNO4/c1-11(2)9-17(8-7-15(19)20)14(18)10-21-13-5-3-12(16)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,19,20)
InChIKeyUCKIYEPTOJSRPH-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-fluorophenoxy)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190522
3-[[2-(2,4-difluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190401
3-[2-(4-fluorophenoxy)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119189911
3-[[2-(3-bromophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119189919
methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
CID 61011300
3-[[(E)-4-(4-fluorophenyl)but-3-enoyl]-(2-methylpropyl)amino]propanoic acid
CID 119190127
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
CID 60654576
3-[carboxymethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 82325257

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid (CID 119190370) is 3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)COc1ccc(F)cc1.
What is the InChIKey of 3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid?
The InChIKey is UCKIYEPTOJSRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-11(2)9-17(8-7-15(19)20)14(18)10-21-13-5-3-12(16)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid?
3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).