5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid

C12H14FNO3 — CID 2166270

IUPAC5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c13-10-6-4-9(5-7-10)8-14-11(15)2-1-3-12(16)17/h4-7H,1-3,8H2,(H,14,15)(H,16,17)
InChIKeyZTMJRLLLDVKUMY-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.70
Rot. Bonds6

About 5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid

5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid (PubChem CID 2166270) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid
PubChem CID2166270
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c13-10-6-4-9(5-7-10)8-14-11(15)2-1-3-12(16)17/h4-7H,1-3,8H2,(H,14,15)(H,16,17)
InChIKeyZTMJRLLLDVKUMY-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid (CID 2166270) is 5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid?
The InChIKey is ZTMJRLLLDVKUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-10-6-4-9(5-7-10)8-14-11(15)2-1-3-12(16)17/h4-7H,1-3,8H2,(H,14,15)(H,16,17).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid?
5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid has a molecular weight of 239.25 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 2166270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).