methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride

C10H13ClINO3 — CID 19873283

IUPACmethyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccc(O)c(I)c1.Cl
InChIInChI=1S/C10H12INO3.ClH/c1-15-10(14)8(12)5-6-2-3-9(13)7(11)4-6;/h2-4,8,13H,5,12H2,1H3;1H
InChIKeyCCYPOKVFIQWUNE-UHFFFAOYSA-N
MW357.58 g/mol
LogP1.46
Rot. Bonds3

About methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride

methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride (PubChem CID 19873283) has the molecular formula C10H13ClINO3 and a molecular weight of 357.58 g/mol. Its IUPAC name is methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride
PubChem CID19873283
Molecular FormulaC10H13ClINO3
Molecular Weight357.58 g/mol
Exact Mass356.96
IUPAC Namemethyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccc(O)c(I)c1.Cl
InChIInChI=1S/C10H12INO3.ClH/c1-15-10(14)8(12)5-6-2-3-9(13)7(11)4-6;/h2-4,8,13H,5,12H2,1H3;1H
InChIKeyCCYPOKVFIQWUNE-UHFFFAOYSA-N
XLogP1.46
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 51.46
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 2-amino-3-(3-amino-4-hydroxyphenyl)propanoate
CID 86019498
methyl 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoate
CID 86137905
methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate
CID 77391788
methyl (2S)-2-amino-3-(3-cyano-4-hydroxyphenyl)propanoate
CID 171238526
methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 54768230
methyl (2S)-2-amino-3-[4-hydroxy-3-(trideuteriomethoxy)phenyl]propanoate
CID 71750297
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl 2-amino-3-(3,4,5-trihydroxyphenyl)propanoate
CID 91499615
3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid
CID 22084039

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride (CID 19873283) is methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride is COC(=O)C(N)Cc1ccc(O)c(I)c1.Cl.
What is the InChIKey of methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride?
The InChIKey is CCYPOKVFIQWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO3.ClH/c1-15-10(14)8(12)5-6-2-3-9(13)7(11)4-6;/h2-4,8,13H,5,12H2,1H3;1H.
What are the key properties of methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride?
methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride has a molecular weight of 357.58 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride is sourced from PubChem (CID 19873283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).