(2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid

C19H24FNO4 — CID 69381373

IUPAC(2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid
SMILESCC(C)C[C@H](C(=O)C1CC(c2ccc(F)cc2)=CCN1)[C@@H](O)C(=O)O
InChIInChI=1S/C19H24FNO4/c1-11(2)9-15(18(23)19(24)25)17(22)16-10-13(7-8-21-16)12-3-5-14(20)6-4-12/h3-7,11,15-16,18,21,23H,8-10H2,1-2H3,(H,24,25)/t15-,16?,18-/m1/s1
InChIKeyUBIAHFCQVOXFLW-IFJNFQAOSA-N
MW349.40 g/mol
LogP2.25
Rot. Bonds7

About (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid

(2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid (PubChem CID 69381373) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid
PubChem CID69381373
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name(2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid
SMILESCC(C)C[C@H](C(=O)C1CC(c2ccc(F)cc2)=CCN1)[C@@H](O)C(=O)O
InChIInChI=1S/C19H24FNO4/c1-11(2)9-15(18(23)19(24)25)17(22)16-10-13(7-8-21-16)12-3-5-14(20)6-4-12/h3-7,11,15-16,18,21,23H,8-10H2,1-2H3,(H,24,25)/t15-,16?,18-/m1/s1
InChIKeyUBIAHFCQVOXFLW-IFJNFQAOSA-N
XLogP2.25
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic 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 (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid?
The IUPAC name of (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid (CID 69381373) is (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid.
What is the SMILES notation for (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid?
The canonical SMILES for (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid is CC(C)C[C@H](C(=O)C1CC(c2ccc(F)cc2)=CCN1)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid?
The InChIKey is UBIAHFCQVOXFLW-IFJNFQAOSA-N. The full InChI is InChI=1S/C19H24FNO4/c1-11(2)9-15(18(23)19(24)25)17(22)16-10-13(7-8-21-16)12-3-5-14(20)6-4-12/h3-7,11,15-16,18,21,23H,8-10H2,1-2H3,(H,24,25)/t15-,16?,18-/m1/s1.
What are the key properties of (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid?
(2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid has a molecular weight of 349.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-2-hydroxy-5-methylhexanoic acid is sourced from PubChem (CID 69381373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).