4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid

C13H16FNO5 — CID 107832248

IUPAC4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
SMILESCC(Oc1ccccc1F)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C13H16FNO5/c1-8(20-11-5-3-2-4-9(11)14)12(17)15-7-6-10(16)13(18)19/h2-5,8,10,16H,6-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyQWKDXYHDLTULDL-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.54
Rot. Bonds7

About 4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid

4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid (PubChem CID 107832248) has the molecular formula C13H16FNO5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
PubChem CID107832248
Molecular FormulaC13H16FNO5
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
SMILESCC(Oc1ccccc1F)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C13H16FNO5/c1-8(20-11-5-3-2-4-9(11)14)12(17)15-7-6-10(16)13(18)19/h2-5,8,10,16H,6-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyQWKDXYHDLTULDL-UHFFFAOYSA-N
XLogP0.54
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 104682391
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771605
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
CID 107563253
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003733
(2S)-2-[2-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144253
2-(2-fluorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956697
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545014

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid (CID 107832248) is 4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid is CC(Oc1ccccc1F)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid?
The InChIKey is QWKDXYHDLTULDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5/c1-8(20-11-5-3-2-4-9(11)14)12(17)15-7-6-10(16)13(18)19/h2-5,8,10,16H,6-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid?
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid has a molecular weight of 285.27 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107832248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).