2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid

C14H14FNO2S — CID 117048756

IUPAC2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid
SMILESCC(Cc1cccs1)(C(=O)O)c1cc(F)ccc1N
InChIInChI=1S/C14H14FNO2S/c1-14(13(17)18,8-10-3-2-6-19-10)11-7-9(15)4-5-12(11)16/h2-7H,8,16H2,1H3,(H,17,18)
InChIKeyYSRZLWBCLIPJBP-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.05
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid

2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid (PubChem CID 117048756) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid
PubChem CID117048756
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid
SMILESCC(Cc1cccs1)(C(=O)O)c1cc(F)ccc1N
InChIInChI=1S/C14H14FNO2S/c1-14(13(17)18,8-10-3-2-6-19-10)11-7-9(15)4-5-12(11)16/h2-7H,8,16H2,1H3,(H,17,18)
InChIKeyYSRZLWBCLIPJBP-UHFFFAOYSA-N
XLogP3.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-Amino-3-fluorophenyl)-2-methylsulfanylpropanoic acid
CID 67158118
1-[4-[4-(3-Amino-5-fluorothiophen-2-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 90264511
2-[2-Amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid
CID 174546182
2-[5-[(4-Fluoro-2-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28103836
2-[5-[(5-Fluoro-2-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29041284
2-(4-Amino-2-fluorophenyl)sulfanyl-2-phenylacetic acid
CID 61320290
2-[5-[(3-Fluoro-2-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61635944
3-(2-Amino-4-fluorophenyl)sulfanyl-2-phenylpropanoic acid
CID 64566222
3-(4-Amino-2-fluorophenyl)sulfanyl-2-phenylpropanoic acid
CID 64566426
3-(3-Amino-5-fluorophenyl)sulfanyl-2-phenylpropanoic acid
CID 64566634
3-(4-Amino-3-fluorophenyl)sulfanyl-2-phenylpropanoic acid
CID 79140637
2-(4-Amino-3-fluorophenyl)sulfanyl-2-phenylacetic acid
CID 79141274

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid (CID 117048756) is 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid is CC(Cc1cccs1)(C(=O)O)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid?
The InChIKey is YSRZLWBCLIPJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-14(13(17)18,8-10-3-2-6-19-10)11-7-9(15)4-5-12(11)16/h2-7H,8,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid?
2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 117048756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).