5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid

C13H16FNO3 — CID 60662109

IUPAC5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)CCCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO3/c1-9(10-5-7-11(14)8-6-10)15-12(16)3-2-4-13(17)18/h5-9H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyLODZVEGMPVOPFW-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.26
Rot. Bonds6

About 5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid

5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 60662109) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
PubChem CID60662109
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)CCCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO3/c1-9(10-5-7-11(14)8-6-10)15-12(16)3-2-4-13(17)18/h5-9H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyLODZVEGMPVOPFW-UHFFFAOYSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 60662045
6-[1-(4-methylsulfanylphenyl)ethylamino]-6-oxohexanoic acid
CID 60942052
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351309
5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351821
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid (CID 60662109) is 5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid is CC(NC(=O)CCCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is LODZVEGMPVOPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9(10-5-7-11(14)8-6-10)15-12(16)3-2-4-13(17)18/h5-9H,2-4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid?
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 253.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 60662109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).