methyl 2-iodo-3-(2-methoxyethylamino)propanoate

C7H14INO3 — CID 103492044

IUPACmethyl 2-iodo-3-(2-methoxyethylamino)propanoate
SMILESCOCCNCC(I)C(=O)OC
InChIInChI=1S/C7H14INO3/c1-11-4-3-9-5-6(8)7(10)12-2/h6,9H,3-5H2,1-2H3
InChIKeyFTOGNNNVXOVLOS-UHFFFAOYSA-N
MW287.10 g/mol
LogP0.20
Rot. Bonds6

About methyl 2-iodo-3-(2-methoxyethylamino)propanoate

methyl 2-iodo-3-(2-methoxyethylamino)propanoate (PubChem CID 103492044) has the molecular formula C7H14INO3 and a molecular weight of 287.10 g/mol. Its IUPAC name is methyl 2-iodo-3-(2-methoxyethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-iodo-3-(2-methoxyethylamino)propanoate
PubChem CID103492044
Molecular FormulaC7H14INO3
Molecular Weight287.10 g/mol
Exact Mass287.00
IUPAC Namemethyl 2-iodo-3-(2-methoxyethylamino)propanoate
SMILESCOCCNCC(I)C(=O)OC
InChIInChI=1S/C7H14INO3/c1-11-4-3-9-5-6(8)7(10)12-2/h6,9H,3-5H2,1-2H3
InChIKeyFTOGNNNVXOVLOS-UHFFFAOYSA-N
XLogP0.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate
CID 103492196
methyl 3-(2-fluoroethylamino)-2-iodopropanoate
CID 103491977
methyl 3-(dodecylamino)-2-iodopropanoate
CID 103492046
2-hydroxy-3-(2-methoxyethylamino)propanamide
CID 106174482
methyl 3-(2-cyclopropylethylamino)-2-iodopropanoate
CID 103491987
methyl 2-iodo-3-[2-(2-methoxyphenoxy)ethylamino]propanoate
CID 103492017
2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
N-hydroxy-2-(2-methoxyethylamino)acetamide
CID 79282707
2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid
CID 103263247
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270

Frequently Asked Questions

What is the IUPAC name of methyl 2-iodo-3-(2-methoxyethylamino)propanoate?
The IUPAC name of methyl 2-iodo-3-(2-methoxyethylamino)propanoate (CID 103492044) is methyl 2-iodo-3-(2-methoxyethylamino)propanoate.
What is the SMILES notation for methyl 2-iodo-3-(2-methoxyethylamino)propanoate?
The canonical SMILES for methyl 2-iodo-3-(2-methoxyethylamino)propanoate is COCCNCC(I)C(=O)OC.
What is the InChIKey of methyl 2-iodo-3-(2-methoxyethylamino)propanoate?
The InChIKey is FTOGNNNVXOVLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INO3/c1-11-4-3-9-5-6(8)7(10)12-2/h6,9H,3-5H2,1-2H3.
What are the key properties of methyl 2-iodo-3-(2-methoxyethylamino)propanoate?
methyl 2-iodo-3-(2-methoxyethylamino)propanoate has a molecular weight of 287.10 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iodo-3-(2-methoxyethylamino)propanoate is sourced from PubChem (CID 103492044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).