3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid

C13H16FNO5 — CID 106107648

IUPAC3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CCOc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C13H16FNO5/c1-19-11(13(17)18)8-15-12(16)6-7-20-10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeySTMOZJAFTOZZPM-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.81
Rot. Bonds8

About 3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid

3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid (PubChem CID 106107648) has the molecular formula C13H16FNO5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid
PubChem CID106107648
Molecular FormulaC13H16FNO5
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CCOc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C13H16FNO5/c1-19-11(13(17)18)8-15-12(16)6-7-20-10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeySTMOZJAFTOZZPM-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

2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81367166
3-[(4-fluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106109659
3-methoxy-4-[3-(4-methylphenoxy)propanoylamino]butanoic acid
CID 103153206
2-[3-(4-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 43353252
(2S)-2-[3-(4-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61137913
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid (CID 106107648) is 3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid is COC(CNC(=O)CCOc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid?
The InChIKey is STMOZJAFTOZZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5/c1-19-11(13(17)18)8-15-12(16)6-7-20-10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid?
3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic 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 3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).