5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid

C13H18FNO3 — CID 115122781

IUPAC5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid
SMILESO=C(O)CCC(O)CNCCc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c14-11-3-1-2-10(8-11)6-7-15-9-12(16)4-5-13(17)18/h1-3,8,12,15-16H,4-7,9H2,(H,17,18)
InChIKeyOPQPRWVIPXXXBR-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.18
Rot. Bonds8

About 5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid

5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid (PubChem CID 115122781) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid
PubChem CID115122781
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid
SMILESO=C(O)CCC(O)CNCCc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c14-11-3-1-2-10(8-11)6-7-15-9-12(16)4-5-13(17)18/h1-3,8,12,15-16H,4-7,9H2,(H,17,18)
InChIKeyOPQPRWVIPXXXBR-UHFFFAOYSA-N
XLogP1.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
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-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid?
The IUPAC name of 5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid (CID 115122781) is 5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid.
What is the SMILES notation for 5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid?
The canonical SMILES for 5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid is O=C(O)CCC(O)CNCCc1cccc(F)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid?
The InChIKey is OPQPRWVIPXXXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c14-11-3-1-2-10(8-11)6-7-15-9-12(16)4-5-13(17)18/h1-3,8,12,15-16H,4-7,9H2,(H,17,18).
What are the key properties of 5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid?
5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid has a molecular weight of 255.29 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)ethylamino]-4-hydroxypentanoic acid is sourced from PubChem (CID 115122781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).