5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid

C13H16FNO4 — CID 62032120

IUPAC5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)COc1cccc(F)c1
InChIInChI=1S/C13H16FNO4/c14-10-4-3-5-11(8-10)19-9-12(16)15-7-2-1-6-13(17)18/h3-5,8H,1-2,6-7,9H2,(H,15,16)(H,17,18)
InChIKeyWUZCYBDHKGRMDR-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.58
Rot. Bonds8

About 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid

5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid (PubChem CID 62032120) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
PubChem CID62032120
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)COc1cccc(F)c1
InChIInChI=1S/C13H16FNO4/c14-10-4-3-5-11(8-10)19-9-12(16)15-7-2-1-6-13(17)18/h3-5,8H,1-2,6-7,9H2,(H,15,16)(H,17,18)
InChIKeyWUZCYBDHKGRMDR-UHFFFAOYSA-N
XLogP1.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
N-(3-cyclopentylpropyl)-2-(3-fluorophenoxy)acetamide
CID 55572986
N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110788271
N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide
CID 47067523
2-(3-fluorophenoxy)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110660211
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47101279
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-(3-fluorophenoxy)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]acetamide
CID 110719295
N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide
CID 115594649

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid (CID 62032120) is 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)COc1cccc(F)c1.
What is the InChIKey of 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid?
The InChIKey is WUZCYBDHKGRMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c14-10-4-3-5-11(8-10)19-9-12(16)15-7-2-1-6-13(17)18/h3-5,8H,1-2,6-7,9H2,(H,15,16)(H,17,18).
What are the key properties of 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid?
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid has a molecular weight of 269.27 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 62032120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).