methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate

C10H20INO4 — CID 103492196

IUPACmethyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate
SMILESCOCCCOCCNCC(I)C(=O)OC
InChIInChI=1S/C10H20INO4/c1-14-5-3-6-16-7-4-12-8-9(11)10(13)15-2/h9,12H,3-8H2,1-2H3
InChIKeyIOAOZYLKQYRDQT-UHFFFAOYSA-N
MW345.18 g/mol
LogP0.61
Rot. Bonds10

About methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate

methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate (PubChem CID 103492196) has the molecular formula C10H20INO4 and a molecular weight of 345.18 g/mol. Its IUPAC name is methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate
PubChem CID103492196
Molecular FormulaC10H20INO4
Molecular Weight345.18 g/mol
Exact Mass345.04
IUPAC Namemethyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate
SMILESCOCCCOCCNCC(I)C(=O)OC
InChIInChI=1S/C10H20INO4/c1-14-5-3-6-16-7-4-12-8-9(11)10(13)15-2/h9,12H,3-8H2,1-2H3
InChIKeyIOAOZYLKQYRDQT-UHFFFAOYSA-N
XLogP0.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyethylamino)propanoate
CID 103492044
2-[2-(3-methoxypropoxy)ethylamino]-N-methylacetamide
CID 103178535
methyl 3-(2-fluoroethylamino)-2-iodopropanoate
CID 103491977
methyl 3-(dodecylamino)-2-iodopropanoate
CID 103492046
methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate
CID 103491945
N-cyclopropyl-3-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179172
methyl 3-(2-cyclopropylethylamino)-2-iodopropanoate
CID 103491987
methyl 2-acetamido-3-(2-butoxyethylamino)propanoate
CID 103242734
3-[3-(3-methoxypropoxy)propoxy]propyl 3-[2-[[3-[3-[3-(3-methoxypropoxy)propoxy]propoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate
CID 58978516
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
2-[2-(4-methoxybutoxy)ethylamino]ethanol
CID 150215705
N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
CID 103184074

Frequently Asked Questions

What is the IUPAC name of methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate?
The IUPAC name of methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate (CID 103492196) is methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate.
What is the SMILES notation for methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate?
The canonical SMILES for methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate is COCCCOCCNCC(I)C(=O)OC.
What is the InChIKey of methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate?
The InChIKey is IOAOZYLKQYRDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20INO4/c1-14-5-3-6-16-7-4-12-8-9(11)10(13)15-2/h9,12H,3-8H2,1-2H3.
What are the key properties of methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate?
methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate has a molecular weight of 345.18 g/mol, XLogP of 0.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iodo-3-[2-(3-methoxypropoxy)ethylamino]propanoate is sourced from PubChem (CID 103492196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).