2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid

C14H20FNO2 — CID 67547113

IUPAC2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid
SMILESCCCC(NC(C)Cc1ccccc1F)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-3-6-13(14(17)18)16-10(2)9-11-7-4-5-8-12(11)15/h4-5,7-8,10,13,16H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyYKPWXLKWJATSOJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.60
Rot. Bonds7

About 2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid

2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid (PubChem CID 67547113) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid
PubChem CID67547113
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid
SMILESCCCC(NC(C)Cc1ccccc1F)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-3-6-13(14(17)18)16-10(2)9-11-7-4-5-8-12(11)15/h4-5,7-8,10,13,16H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyYKPWXLKWJATSOJ-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid (CID 67547113) is 2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid is CCCC(NC(C)Cc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid?
The InChIKey is YKPWXLKWJATSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-6-13(14(17)18)16-10(2)9-11-7-4-5-8-12(11)15/h4-5,7-8,10,13,16H,3,6,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid?
2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)propan-2-ylamino]pentanoic acid is sourced from PubChem (CID 67547113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).