2-amino-4-(3-iodophenyl)-2-methylbutanoic acid

C11H14INO2 — CID 21295151

IUPAC2-amino-4-(3-iodophenyl)-2-methylbutanoic acid
SMILESCC(N)(CCc1cccc(I)c1)C(=O)O
InChIInChI=1S/C11H14INO2/c1-11(13,10(14)15)6-5-8-3-2-4-9(12)7-8/h2-4,7H,5-6,13H2,1H3,(H,14,15)
InChIKeyQBLKAYIQCFZPFA-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.03
Rot. Bonds4

About 2-amino-4-(3-iodophenyl)-2-methylbutanoic acid

2-amino-4-(3-iodophenyl)-2-methylbutanoic acid (PubChem CID 21295151) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is 2-amino-4-(3-iodophenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-(3-iodophenyl)-2-methylbutanoic acid
PubChem CID21295151
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name2-amino-4-(3-iodophenyl)-2-methylbutanoic acid
SMILESCC(N)(CCc1cccc(I)c1)C(=O)O
InChIInChI=1S/C11H14INO2/c1-11(13,10(14)15)6-5-8-3-2-4-9(12)7-8/h2-4,7H,5-6,13H2,1H3,(H,14,15)
InChIKeyQBLKAYIQCFZPFA-UHFFFAOYSA-N
XLogP2.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-iodophenyl)-2,2-dimethylpropanoic acid
CID 138508187
2-amino-4-(4-bromophenyl)-2-methylbutanoic acid
CID 56687127
2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid
CID 150170631
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-(3-iodophenyl)ethanol
CID 15169850
15-(3-iodophenyl)pentadecanoic acid
CID 14771645
2,2-dimethyl-4-(3-methylphenyl)butanoic acid
CID 69050886
4-[[2-(3-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119357254
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
3-(3-iodophenyl)-2-oxopropanoic acid
CID 127018945
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-iodophenyl)-2-methylbutanoic acid?
The IUPAC name of 2-amino-4-(3-iodophenyl)-2-methylbutanoic acid (CID 21295151) is 2-amino-4-(3-iodophenyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-amino-4-(3-iodophenyl)-2-methylbutanoic acid?
The canonical SMILES for 2-amino-4-(3-iodophenyl)-2-methylbutanoic acid is CC(N)(CCc1cccc(I)c1)C(=O)O.
What is the InChIKey of 2-amino-4-(3-iodophenyl)-2-methylbutanoic acid?
The InChIKey is QBLKAYIQCFZPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2/c1-11(13,10(14)15)6-5-8-3-2-4-9(12)7-8/h2-4,7H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-(3-iodophenyl)-2-methylbutanoic acid?
2-amino-4-(3-iodophenyl)-2-methylbutanoic acid has a molecular weight of 319.14 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-iodophenyl)-2-methylbutanoic acid is sourced from PubChem (CID 21295151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).