4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid

C13H18FNO3 — CID 103256974

IUPAC4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid
SMILESCc1ccc(C(C)NCC(O)CC(=O)O)cc1F
InChIInChI=1S/C13H18FNO3/c1-8-3-4-10(5-12(8)14)9(2)15-7-11(16)6-13(17)18/h3-5,9,11,15-16H,6-7H2,1-2H3,(H,17,18)
InChIKeyHASXVTPRBRGUBY-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.62
Rot. Bonds6

About 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid

4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid (PubChem CID 103256974) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid
PubChem CID103256974
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid
SMILESCc1ccc(C(C)NCC(O)CC(=O)O)cc1F
InChIInChI=1S/C13H18FNO3/c1-8-3-4-10(5-12(8)14)9(2)15-7-11(16)6-13(17)18/h3-5,9,11,15-16H,6-7H2,1-2H3,(H,17,18)
InChIKeyHASXVTPRBRGUBY-UHFFFAOYSA-N
XLogP1.62
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid (CID 103256974) is 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid is Cc1ccc(C(C)NCC(O)CC(=O)O)cc1F.
What is the InChIKey of 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid?
The InChIKey is HASXVTPRBRGUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-8-3-4-10(5-12(8)14)9(2)15-7-11(16)6-13(17)18/h3-5,9,11,15-16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid?
4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid has a molecular weight of 255.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 103256974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).