2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid

C11H12FNO5 — CID 63930757

IUPAC2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid
SMILESO=C(O)CONC(=O)CCOc1cccc(F)c1
InChIInChI=1S/C11H12FNO5/c12-8-2-1-3-9(6-8)17-5-4-10(14)13-18-7-11(15)16/h1-3,6H,4-5,7H2,(H,13,14)(H,15,16)
InChIKeyUGWWOORUZPYNFU-UHFFFAOYSA-N
MW257.22 g/mol
LogP0.73
Rot. Bonds7

About 2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid

2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid (PubChem CID 63930757) has the molecular formula C11H12FNO5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid
PubChem CID63930757
Molecular FormulaC11H12FNO5
Molecular Weight257.22 g/mol
Exact Mass257.07
IUPAC Name2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid
SMILESO=C(O)CONC(=O)CCOc1cccc(F)c1
InChIInChI=1S/C11H12FNO5/c12-8-2-1-3-9(6-8)17-5-4-10(14)13-18-7-11(15)16/h1-3,6H,4-5,7H2,(H,13,14)(H,15,16)
InChIKeyUGWWOORUZPYNFU-UHFFFAOYSA-N
XLogP0.73
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167434
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500929
2-[3-(3-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 43467510
3-(3-fluorophenoxy)propanenitrile;3-(3-fluorophenoxy)propanoic acid
CID 161047261
3-(3-fluorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794121
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169
3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746113
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid?
The IUPAC name of 2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid (CID 63930757) is 2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid.
What is the SMILES notation for 2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid?
The canonical SMILES for 2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid is O=C(O)CONC(=O)CCOc1cccc(F)c1.
What is the InChIKey of 2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid?
The InChIKey is UGWWOORUZPYNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO5/c12-8-2-1-3-9(6-8)17-5-4-10(14)13-18-7-11(15)16/h1-3,6H,4-5,7H2,(H,13,14)(H,15,16).
What are the key properties of 2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid?
2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid has a molecular weight of 257.22 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid is sourced from PubChem (CID 63930757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).