5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid

C14H19F2NO3 — CID 142263975

IUPAC5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid
SMILESO=C(O)CCCCNCCCOc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO3/c15-11-5-6-13(12(16)10-11)20-9-3-8-17-7-2-1-4-14(18)19/h5-6,10,17H,1-4,7-9H2,(H,18,19)
InChIKeyKXPLBBKYXIZJAN-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.58
Rot. Bonds10

About 5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid

5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid (PubChem CID 142263975) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid.

Molecular Properties

Compound Name5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid
PubChem CID142263975
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid
SMILESO=C(O)CCCCNCCCOc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO3/c15-11-5-6-13(12(16)10-11)20-9-3-8-17-7-2-1-4-14(18)19/h5-6,10,17H,1-4,7-9H2,(H,18,19)
InChIKeyKXPLBBKYXIZJAN-UHFFFAOYSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid?
The IUPAC name of 5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid (CID 142263975) is 5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid.
What is the SMILES notation for 5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid?
The canonical SMILES for 5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid is O=C(O)CCCCNCCCOc1ccc(F)cc1F.
What is the InChIKey of 5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid?
The InChIKey is KXPLBBKYXIZJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c15-11-5-6-13(12(16)10-11)20-9-3-8-17-7-2-1-4-14(18)19/h5-6,10,17H,1-4,7-9H2,(H,18,19).
What are the key properties of 5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid?
5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,4-difluorophenoxy)propylamino]pentanoic acid is sourced from PubChem (CID 142263975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).