2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid

C12H15FINO3 — CID 90345479

IUPAC2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid
SMILESCC(N)(Cc1cc(OCCF)ccc1I)C(=O)O
InChIInChI=1S/C12H15FINO3/c1-12(15,11(16)17)7-8-6-9(18-5-4-13)2-3-10(8)14/h2-3,6H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyJXHJZMHHXNUBBV-UHFFFAOYSA-N
MW367.16 g/mol
LogP1.98
Rot. Bonds6

About 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid

2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid (PubChem CID 90345479) has the molecular formula C12H15FINO3 and a molecular weight of 367.16 g/mol. Its IUPAC name is 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid
PubChem CID90345479
Molecular FormulaC12H15FINO3
Molecular Weight367.16 g/mol
Exact Mass367.01
IUPAC Name2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid
SMILESCC(N)(Cc1cc(OCCF)ccc1I)C(=O)O
InChIInChI=1S/C12H15FINO3/c1-12(15,11(16)17)7-8-6-9(18-5-4-13)2-3-10(8)14/h2-3,6H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyJXHJZMHHXNUBBV-UHFFFAOYSA-N
XLogP1.98
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic 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

ethyl 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoate
CID 90345465
2-amino-3-[5-(2-fluoroethoxy)-2-methylsulfanylphenyl]-2-methylpropanoic acid
CID 90345521
2-amino-3-[2-(cyclopropylmethoxy)-5-[2-(2-fluoroethoxy)ethoxy]phenyl]-2-methylpropanoic acid
CID 118888007
(2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid
CID 22839371
(2S)-2-amino-3-[3-(fluoromethoxy)phenyl]-2-methylpropanoic acid
CID 118427119
2-amino-3-[5-(2-fluoroethoxy)-2-(fluoromethyl)phenyl]propanoic acid
CID 90345475
6-(2-fluoroethoxy)naphthalene-2-carboxylic acid
CID 134093258
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
CID 171771019
CID 171771019
2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid
CID 91976642
N-tert-butyl-4-(2-fluoroethoxy)benzamide
CID 130197731
2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid
CID 67648973

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid (CID 90345479) is 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid is CC(N)(Cc1cc(OCCF)ccc1I)C(=O)O.
What is the InChIKey of 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid?
The InChIKey is JXHJZMHHXNUBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FINO3/c1-12(15,11(16)17)7-8-6-9(18-5-4-13)2-3-10(8)14/h2-3,6H,4-5,7,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid?
2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid has a molecular weight of 367.16 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(2-fluoroethoxy)-2-iodophenyl]-2-methylpropanoic acid is sourced from PubChem (CID 90345479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).