6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid

C15H20FNO4 — CID 60952825

IUPAC6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
SMILESCN(CCOc1ccccc1F)C(=O)CCCCC(=O)O
InChIInChI=1S/C15H20FNO4/c1-17(14(18)8-4-5-9-15(19)20)10-11-21-13-7-3-2-6-12(13)16/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyRNNUEGQQCBNHTM-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.31
Rot. Bonds9

About 6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid

6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid (PubChem CID 60952825) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
PubChem CID60952825
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
SMILESCN(CCOc1ccccc1F)C(=O)CCCCC(=O)O
InChIInChI=1S/C15H20FNO4/c1-17(14(18)8-4-5-9-15(19)20)10-11-21-13-7-3-2-6-12(13)16/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyRNNUEGQQCBNHTM-UHFFFAOYSA-N
XLogP2.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
CID 60554110
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide
CID 18120004
4-[2-(2-fluorophenoxy)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992870
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26960625
N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31665805
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid (CID 60952825) is 6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid is CN(CCOc1ccccc1F)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid?
The InChIKey is RNNUEGQQCBNHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-17(14(18)8-4-5-9-15(19)20)10-11-21-13-7-3-2-6-12(13)16/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20).
What are the key properties of 6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid?
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid is sourced from PubChem (CID 60952825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).