(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid

C14H18FNO4 — CID 107563253

IUPAC(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C(C)Oc1ccccc1F)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-3-6-11(14(18)19)16-13(17)9(2)20-12-8-5-4-7-10(12)15/h4-5,7-9,11H,3,6H2,1-2H3,(H,16,17)(H,18,19)/t9?,11-/m1/s1
InChIKeyYAHJEFQMJFLUOG-HCCKASOXSA-N
MW283.30 g/mol
LogP1.96
Rot. Bonds7

About (2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid

(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid (PubChem CID 107563253) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is (2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
PubChem CID107563253
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C(C)Oc1ccccc1F)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-3-6-11(14(18)19)16-13(17)9(2)20-12-8-5-4-7-10(12)15/h4-5,7-9,11H,3,6H2,1-2H3,(H,16,17)(H,18,19)/t9?,11-/m1/s1
InChIKeyYAHJEFQMJFLUOG-HCCKASOXSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790
2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid
CID 43469679
5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 104682391
(2S)-2-[2-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144253
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43630623
2-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119224224
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
CID 43115628
(2-fluorophenyl) 2-methylpentanoate
CID 78777060

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid (CID 107563253) is (2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid is CCC[C@@H](NC(=O)C(C)Oc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid?
The InChIKey is YAHJEFQMJFLUOG-HCCKASOXSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-3-6-11(14(18)19)16-13(17)9(2)20-12-8-5-4-7-10(12)15/h4-5,7-9,11H,3,6H2,1-2H3,(H,16,17)(H,18,19)/t9?,11-/m1/s1.
What are the key properties of (2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid?
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid has a molecular weight of 283.30 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid is sourced from PubChem (CID 107563253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).