(E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid

C11H11F2NO2 — CID 135033268

IUPAC(E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid
SMILESN[C@@H](C/C=C/c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C11H11F2NO2/c12-8-5-4-7(9(13)6-8)2-1-3-10(14)11(15)16/h1-2,4-6,10H,3,14H2,(H,15,16)/b2-1+/t10-/m0/s1
InChIKeyRJPMAPMFAUSSNM-YOLVWIGZSA-N
MW227.21 g/mol
LogP1.78
Rot. Bonds4

About (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid

(E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid (PubChem CID 135033268) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid.

Molecular Properties

Compound Name(E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid
PubChem CID135033268
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name(E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid
SMILESN[C@@H](C/C=C/c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C11H11F2NO2/c12-8-5-4-7(9(13)6-8)2-1-3-10(14)11(15)16/h1-2,4-6,10H,3,14H2,(H,15,16)/b2-1+/t10-/m0/s1
InChIKeyRJPMAPMFAUSSNM-YOLVWIGZSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-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 (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid?
The IUPAC name of (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid (CID 135033268) is (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid.
What is the SMILES notation for (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid?
The canonical SMILES for (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid is N[C@@H](C/C=C/c1ccc(F)cc1F)C(=O)O.
What is the InChIKey of (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid?
The InChIKey is RJPMAPMFAUSSNM-YOLVWIGZSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-8-5-4-7(9(13)6-8)2-1-3-10(14)11(15)16/h1-2,4-6,10H,3,14H2,(H,15,16)/b2-1+/t10-/m0/s1.
What are the key properties of (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid?
(E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid has a molecular weight of 227.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-amino-5-(2,4-difluorophenyl)pent-4-enoic acid is sourced from PubChem (CID 135033268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).