(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid

C13H16FNO4 — CID 107563444

IUPAC(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)COc1cccc(F)c1)C(=O)O
InChIInChI=1S/C13H16FNO4/c1-2-4-11(13(17)18)15-12(16)8-19-10-6-3-5-9(14)7-10/h3,5-7,11H,2,4,8H2,1H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyDJJGQNVBAKAPHB-LLVKDONJSA-N
MW269.27 g/mol
LogP1.57
Rot. Bonds7

About (2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid

(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid (PubChem CID 107563444) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is (2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
PubChem CID107563444
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)COc1cccc(F)c1)C(=O)O
InChIInChI=1S/C13H16FNO4/c1-2-4-11(13(17)18)15-12(16)8-19-10-6-3-5-9(14)7-10/h3,5-7,11H,2,4,8H2,1H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyDJJGQNVBAKAPHB-LLVKDONJSA-N
XLogP1.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241
2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid
CID 65223456
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
(2S)-2-[[2-(3-methylphenoxy)acetyl]amino]hexanoic acid
CID 107144458
(2R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107562867
(2R)-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 107563565
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093
(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid
CID 107563000
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]pentanoic acid
CID 107562809

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid (CID 107563444) is (2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid is CCC[C@@H](NC(=O)COc1cccc(F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid?
The InChIKey is DJJGQNVBAKAPHB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-2-4-11(13(17)18)15-12(16)8-19-10-6-3-5-9(14)7-10/h3,5-7,11H,2,4,8H2,1H3,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid?
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid has a molecular weight of 269.27 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107563444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).