3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid

C14H18FNO4 — CID 81367166

IUPAC3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)CCOc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-14(2,13(18)19)9-16-12(17)7-8-20-11-5-3-10(15)4-6-11/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOZXREUJSMALROM-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.82
Rot. Bonds7

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

3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid (PubChem CID 81367166) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
PubChem CID81367166
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)CCOc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-14(2,13(18)19)9-16-12(17)7-8-20-11-5-3-10(15)4-6-11/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOZXREUJSMALROM-UHFFFAOYSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81370073
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103772535
2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 43618706
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107648
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
N-[2-(dimethylamino)-2-methylpropyl]-3-phenoxypropanamide
CID 112504871
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid (CID 81367166) is 3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)CCOc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
The InChIKey is OZXREUJSMALROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-14(2,13(18)19)9-16-12(17)7-8-20-11-5-3-10(15)4-6-11/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid has a molecular weight of 283.30 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81367166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).