methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride

C9H10ClI2NO3 — CID 171235485

IUPACmethyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cc(I)c(O)c(I)c1.Cl
InChIInChI=1S/C9H9I2NO3.ClH/c1-15-9(14)7(12)4-2-5(10)8(13)6(11)3-4;/h2-3,7,13H,12H2,1H3;1H/t7-;/m1./s1
InChIKeyHTWYJAAMVNMZPO-OGFXRTJISA-N
MW469.44 g/mol
LogP2.20
Rot. Bonds2

About methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride (PubChem CID 171235485) has the molecular formula C9H10ClI2NO3 and a molecular weight of 469.44 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride
PubChem CID171235485
Molecular FormulaC9H10ClI2NO3
Molecular Weight469.44 g/mol
Exact Mass468.84
IUPAC Namemethyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cc(I)c(O)c(I)c1.Cl
InChIInChI=1S/C9H9I2NO3.ClH/c1-15-9(14)7(12)4-2-5(10)8(13)6(11)3-4;/h2-3,7,13H,12H2,1H3;1H/t7-;/m1./s1
InChIKeyHTWYJAAMVNMZPO-OGFXRTJISA-N
XLogP2.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-2-(3,5-dihydroxyphenyl)acetate;hydrochloride
CID 171199915
methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60796972
methyl (3R)-3-amino-3-(4-hydroxy-3,5-diiodophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171244903
methyl (2S)-2-amino-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate;hydrochloride
CID 171215382
methyl (3S)-3-amino-3-(4-hydroxy-3,5-diiodophenyl)-2,2-dimethylpropanoate
CID 171251635
methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride
CID 171230140
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
CID 171244914
methyl (2R)-2-amino-2-(2,4,6-trihydroxyphenyl)acetate;hydrochloride
CID 171236695
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride
CID 171215816
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride (CID 171235485) is methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1cc(I)c(O)c(I)c1.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride?
The InChIKey is HTWYJAAMVNMZPO-OGFXRTJISA-N. The full InChI is InChI=1S/C9H9I2NO3.ClH/c1-15-9(14)7(12)4-2-5(10)8(13)6(11)3-4;/h2-3,7,13H,12H2,1H3;1H/t7-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride has a molecular weight of 469.44 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride is sourced from PubChem (CID 171235485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).