(2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid

C10H11I2NO3 — CID 22839371

IUPAC(2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid
SMILESC[C@](N)(Cc1cc(O)c(I)cc1I)C(=O)O
InChIInChI=1S/C10H11I2NO3/c1-10(13,9(15)16)4-5-2-8(14)7(12)3-6(5)11/h2-3,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyVWXVDHRJWRQYDI-JTQLQIEISA-N
MW447.01 g/mol
LogP1.95
Rot. Bonds3

About (2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid

(2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid (PubChem CID 22839371) has the molecular formula C10H11I2NO3 and a molecular weight of 447.01 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid
PubChem CID22839371
Molecular FormulaC10H11I2NO3
Molecular Weight447.01 g/mol
Exact Mass446.88
IUPAC Name(2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid
SMILESC[C@](N)(Cc1cc(O)c(I)cc1I)C(=O)O
InChIInChI=1S/C10H11I2NO3/c1-10(13,9(15)16)4-5-2-8(14)7(12)3-6(5)11/h2-3,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyVWXVDHRJWRQYDI-JTQLQIEISA-N
XLogP1.95
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.01
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid (CID 22839371) is (2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid is C[C@](N)(Cc1cc(O)c(I)cc1I)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid?
The InChIKey is VWXVDHRJWRQYDI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11I2NO3/c1-10(13,9(15)16)4-5-2-8(14)7(12)3-6(5)11/h2-3,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid?
(2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid has a molecular weight of 447.01 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-hydroxy-2,4-diiodophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 22839371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).