methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride

C10H13ClINO2 — CID 171249924

IUPACmethyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1ccccc1I.Cl
InChIInChI=1S/C10H12INO2.ClH/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1
InChIKeySBGYDKLJJAOFGW-SBSPUUFOSA-N
MW341.58 g/mol
LogP2.28
Rot. Bonds3

About methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride

methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride (PubChem CID 171249924) has the molecular formula C10H13ClINO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
PubChem CID171249924
Molecular FormulaC10H13ClINO2
Molecular Weight341.58 g/mol
Exact Mass340.97
IUPAC Namemethyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1ccccc1I.Cl
InChIInChI=1S/C10H12INO2.ClH/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1
InChIKeySBGYDKLJJAOFGW-SBSPUUFOSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 52.28
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 (3S)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171243191
methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride
CID 171230140
methyl (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171249783
methyl (3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243050
methyl (3R)-3-amino-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247663
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
methyl (3S)-3-amino-3-(2-amino-3-pyridinyl)propanoate;hydrochloride
CID 171243481
methyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171242625
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129
methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
methyl (3S)-3-amino-3-(3-bromo-2-fluorophenyl)propanoate;hydrochloride
CID 171240901

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride (CID 171249924) is methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride is COC(=O)C[C@@H](N)c1ccccc1I.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride?
The InChIKey is SBGYDKLJJAOFGW-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12INO2.ClH/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride?
methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride has a molecular weight of 341.58 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride is sourced from PubChem (CID 171249924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).