methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride

C9H11ClINO2 — CID 171230140

IUPACmethyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1ccccc1I.Cl
InChIInChI=1S/C9H10INO2.ClH/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;/h2-5,8H,11H2,1H3;1H/t8-;/m1./s1
InChIKeyTZKOTDWKRMOIEY-DDWIOCJRSA-N
MW327.55 g/mol
LogP1.89
Rot. Bonds2

About methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride (PubChem CID 171230140) has the molecular formula C9H11ClINO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride
PubChem CID171230140
Molecular FormulaC9H11ClINO2
Molecular Weight327.55 g/mol
Exact Mass326.95
IUPAC Namemethyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1ccccc1I.Cl
InChIInChI=1S/C9H10INO2.ClH/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;/h2-5,8H,11H2,1H3;1H/t8-;/m1./s1
InChIKeyTZKOTDWKRMOIEY-DDWIOCJRSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
methyl (3S)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171243191
methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171249924
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl 2-amino-2-(2-nitrophenyl)acetate;hydrochloride
CID 86767617
methyl (2S)-2-amino-2-(2-nitrophenyl)acetate;hydrochloride
CID 171198321
methyl (2S)-2-amino-2-(2-cyanophenyl)acetate
CID 130692626
1-(2-iodophenyl)-2-methylprop-2-en-1-amine
CID 105005479
methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
CID 60795431
methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
CID 171208922
methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312
methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate
CID 142960386

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride (CID 171230140) is methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1ccccc1I.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride?
The InChIKey is TZKOTDWKRMOIEY-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10INO2.ClH/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;/h2-5,8H,11H2,1H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride has a molecular weight of 327.55 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride is sourced from PubChem (CID 171230140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).