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

C13H16FNO5 — CID 62478241

IUPAC2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)COc1cccc(F)c1)C(=O)O
InChIInChI=1S/C13H16FNO5/c1-19-6-5-11(13(17)18)15-12(16)8-20-10-4-2-3-9(14)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyYIKPXTIZRSACJU-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.81
Rot. Bonds8

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

2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid (PubChem CID 62478241) has the molecular formula C13H16FNO5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
PubChem CID62478241
Molecular FormulaC13H16FNO5
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)COc1cccc(F)c1)C(=O)O
InChIInChI=1S/C13H16FNO5/c1-19-6-5-11(13(17)18)15-12(16)8-20-10-4-2-3-9(14)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyYIKPXTIZRSACJU-UHFFFAOYSA-N
XLogP0.81
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62480729
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 120702011
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114078973
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
(2S)-2-[[2-(3-methylphenoxy)acetyl]amino]hexanoic acid
CID 107144458
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060
5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid
CID 82780603

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid (CID 62478241) is 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)COc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid?
The InChIKey is YIKPXTIZRSACJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5/c1-19-6-5-11(13(17)18)15-12(16)8-20-10-4-2-3-9(14)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid?
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid has a molecular weight of 285.27 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).