5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid

C12H16FNO3 — CID 115122706

IUPAC5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid
SMILESO=C(O)CCC(O)CNCc1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c13-10-3-1-2-9(6-10)7-14-8-11(15)4-5-12(16)17/h1-3,6,11,14-15H,4-5,7-8H2,(H,16,17)
InChIKeySDVDXUDJLUEGQZ-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.14
Rot. Bonds7

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

5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid (PubChem CID 115122706) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid
PubChem CID115122706
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid
SMILESO=C(O)CCC(O)CNCc1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c13-10-3-1-2-9(6-10)7-14-8-11(15)4-5-12(16)17/h1-3,6,11,14-15H,4-5,7-8H2,(H,16,17)
InChIKeySDVDXUDJLUEGQZ-UHFFFAOYSA-N
XLogP1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid?
The IUPAC name of 5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid (CID 115122706) is 5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid is O=C(O)CCC(O)CNCc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid?
The InChIKey is SDVDXUDJLUEGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c13-10-3-1-2-9(6-10)7-14-8-11(15)4-5-12(16)17/h1-3,6,11,14-15H,4-5,7-8H2,(H,16,17).
What are the key properties of 5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid?
5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid has a molecular weight of 241.26 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylamino]-4-hydroxypentanoic acid is sourced from PubChem (CID 115122706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).