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

C14H20FNO3 — CID 115122770

IUPAC5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid
SMILESCc1cc(CCNCC(O)CCC(=O)O)ccc1F
InChIInChI=1S/C14H20FNO3/c1-10-8-11(2-4-13(10)15)6-7-16-9-12(17)3-5-14(18)19/h2,4,8,12,16-17H,3,5-7,9H2,1H3,(H,18,19)
InChIKeyHYDSDWVBCYQZPT-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.49
Rot. Bonds8

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

5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid (PubChem CID 115122770) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid
PubChem CID115122770
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid
SMILESCc1cc(CCNCC(O)CCC(=O)O)ccc1F
InChIInChI=1S/C14H20FNO3/c1-10-8-11(2-4-13(10)15)6-7-16-9-12(17)3-5-14(18)19/h2,4,8,12,16-17H,3,5-7,9H2,1H3,(H,18,19)
InChIKeyHYDSDWVBCYQZPT-UHFFFAOYSA-N
XLogP1.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.49
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-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid (CID 115122770) is 5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid is Cc1cc(CCNCC(O)CCC(=O)O)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid?
The InChIKey is HYDSDWVBCYQZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-10-8-11(2-4-13(10)15)6-7-16-9-12(17)3-5-14(18)19/h2,4,8,12,16-17H,3,5-7,9H2,1H3,(H,18,19).
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid?
5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid has a molecular weight of 269.32 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)ethylamino]-4-hydroxypentanoic acid is sourced from PubChem (CID 115122770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).