(Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid

C12H14FNO2 — CID 11588074

IUPAC(Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid
SMILESN[C@@H](Cc1ccccc1)/C(F)=C/CC(=O)O
InChIInChI=1S/C12H14FNO2/c13-10(6-7-12(15)16)11(14)8-9-4-2-1-3-5-9/h1-6,11H,7-8,14H2,(H,15,16)/b10-6-/t11-/m0/s1
InChIKeyNSXCURKNCHTLTA-YAEJEKNGSA-N
MW223.25 g/mol
LogP1.88
Rot. Bonds5

About (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid

(Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid (PubChem CID 11588074) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid.

Molecular Properties

Compound Name(Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid
PubChem CID11588074
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid
SMILESN[C@@H](Cc1ccccc1)/C(F)=C/CC(=O)O
InChIInChI=1S/C12H14FNO2/c13-10(6-7-12(15)16)11(14)8-9-4-2-1-3-5-9/h1-6,11H,7-8,14H2,(H,15,16)/b10-6-/t11-/m0/s1
InChIKeyNSXCURKNCHTLTA-YAEJEKNGSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic 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 (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid?
The IUPAC name of (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid (CID 11588074) is (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid.
What is the SMILES notation for (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid?
The canonical SMILES for (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid is N[C@@H](Cc1ccccc1)/C(F)=C/CC(=O)O.
What is the InChIKey of (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid?
The InChIKey is NSXCURKNCHTLTA-YAEJEKNGSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10(6-7-12(15)16)11(14)8-9-4-2-1-3-5-9/h1-6,11H,7-8,14H2,(H,15,16)/b10-6-/t11-/m0/s1.
What are the key properties of (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid?
(Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid has a molecular weight of 223.25 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-5-amino-4-fluoro-6-phenylhex-3-enoic acid is sourced from PubChem (CID 11588074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).