2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid

C13H16INO4 — CID 119348042

IUPAC2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1cccc(I)c1
InChIInChI=1S/C13H16INO4/c1-19-6-5-15(9-13(17)18)12(16)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyJPYCXUBKZFXCPC-UHFFFAOYSA-N
MW377.18 g/mol
LogP1.39
Rot. Bonds7

About 2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid

2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119348042) has the molecular formula C13H16INO4 and a molecular weight of 377.18 g/mol. Its IUPAC name is 2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119348042
Molecular FormulaC13H16INO4
Molecular Weight377.18 g/mol
Exact Mass377.01
IUPAC Name2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1cccc(I)c1
InChIInChI=1S/C13H16INO4/c1-19-6-5-15(9-13(17)18)12(16)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyJPYCXUBKZFXCPC-UHFFFAOYSA-N
XLogP1.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 51.39
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

2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 120516212
2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189031
2-[2-methoxyethyl-[3-(3-nitrophenyl)propanoyl]amino]acetic acid
CID 119348154
2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902380
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
CID 113468253
2-[2-methoxyethyl-[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 119189305
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 62500315
2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119348164
2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119189335
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid (CID 119348042) is 2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)Cc1cccc(I)c1.
What is the InChIKey of 2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is JPYCXUBKZFXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO4/c1-19-6-5-15(9-13(17)18)12(16)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 377.18 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119348042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).