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

C14H18FNO4 — CID 81370073

IUPAC3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)CCOc1ccccc1F)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-14(2,13(18)19)9-16-12(17)7-8-20-11-6-4-3-5-10(11)15/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGVBUSPAEGUHTAX-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.82
Rot. Bonds7

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

3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid (PubChem CID 81370073) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
PubChem CID81370073
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)CCOc1ccccc1F)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-14(2,13(18)19)9-16-12(17)7-8-20-11-6-4-3-5-10(11)15/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGVBUSPAEGUHTAX-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-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81367166
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926654
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
4-[3-(2-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 80538101
3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851
5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 82009038

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid (CID 81370073) is 3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)CCOc1ccccc1F)C(=O)O.
What is the InChIKey of 3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
The InChIKey is GVBUSPAEGUHTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-14(2,13(18)19)9-16-12(17)7-8-20-11-6-4-3-5-10(11)15/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid?
3-[3-(2-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-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81370073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).