(E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid

C15H13F2NO2S — CID 15485242

IUPAC(E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid
SMILESNC(C/C=C(/c1ccsc1)c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C15H13F2NO2S/c16-10-1-2-12(13(17)7-10)11(9-5-6-21-8-9)3-4-14(18)15(19)20/h1-3,5-8,14H,4,18H2,(H,19,20)/b11-3-
InChIKeyHZJDVLYSPPQMTL-JYOAFUTRSA-N
MW309.34 g/mol
LogP3.26
Rot. Bonds5

About (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid

(E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid (PubChem CID 15485242) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid
PubChem CID15485242
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC Name(E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid
SMILESNC(C/C=C(/c1ccsc1)c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C15H13F2NO2S/c16-10-1-2-12(13(17)7-10)11(9-5-6-21-8-9)3-4-14(18)15(19)20/h1-3,5-8,14H,4,18H2,(H,19,20)/b11-3-
InChIKeyHZJDVLYSPPQMTL-JYOAFUTRSA-N
XLogP3.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-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

Related Compounds

4-(3-Fluorobenzylthio)-2-aminobutanoic acid
CID 44408322
sodium (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate
CID 23710771
sodium (E)-2-amino-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoate
CID 44278014
(R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid
CID 53326599
(Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid
CID 9926649
2-Amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid
CID 53904377
Methyl 2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate
CID 54308600
(2S)-2-amino-4-[(2-fluorophenyl)methylsulfanyl]butanoic acid
CID 57255612
(2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid
CID 61141521
(3S)-3-amino-3-[5-(2,5-difluorophenyl)thiophen-2-yl]propanoic acid
CID 135366733
3-Amino-3-[5-(2,5-difluorophenyl)thiophen-2-yl]propanoic acid
CID 135366736
(3S)-3-amino-3-[5-(2,4-difluorophenyl)thiophen-2-yl]propanoic acid
CID 135366898

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid?
The IUPAC name of (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid (CID 15485242) is (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid.
What is the SMILES notation for (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid?
The canonical SMILES for (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid is NC(C/C=C(/c1ccsc1)c1ccc(F)cc1F)C(=O)O.
What is the InChIKey of (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid?
The InChIKey is HZJDVLYSPPQMTL-JYOAFUTRSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c16-10-1-2-12(13(17)7-10)11(9-5-6-21-8-9)3-4-14(18)15(19)20/h1-3,5-8,14H,4,18H2,(H,19,20)/b11-3-.
What are the key properties of (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid?
(E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid has a molecular weight of 309.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoic acid is sourced from PubChem (CID 15485242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).