methyl 3-methyliodanuidylpropanoate

C5H10IO2- — CID 156903426

IUPACmethyl 3-methyliodanuidylpropanoate
SMILESCOC(=O)CC[I-]C
InChIInChI=1S/C5H10IO2/c1-6-4-3-5(7)8-2/h3-4H2,1-2H3/q-1
InChIKeyWXKSTWHQVPZPFW-UHFFFAOYSA-N
MW229.04 g/mol
LogP-2.73
Rot. Bonds3

About methyl 3-methyliodanuidylpropanoate

methyl 3-methyliodanuidylpropanoate (PubChem CID 156903426) has the molecular formula C5H10IO2- and a molecular weight of 229.04 g/mol. Its IUPAC name is methyl 3-methyliodanuidylpropanoate.

Molecular Properties

Compound Namemethyl 3-methyliodanuidylpropanoate
PubChem CID156903426
Molecular FormulaC5H10IO2-
Molecular Weight229.04 g/mol
Exact Mass228.97
IUPAC Namemethyl 3-methyliodanuidylpropanoate
SMILESCOC(=O)CC[I-]C
InChIInChI=1S/C5H10IO2/c1-6-4-3-5(7)8-2/h3-4H2,1-2H3/q-1
InChIKeyWXKSTWHQVPZPFW-UHFFFAOYSA-N
XLogP-2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 5-2.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl butanoate;tetrahydrochloride
CID 173289582
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methane;methyl 3-hydroxypropanoate
CID 165023436
chromium;methyl butanoate
CID 174781983
CID 59259624
CID 59259624
methyl 14-hydroxytetradecanoate
CID 13245690

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyliodanuidylpropanoate?
The IUPAC name of methyl 3-methyliodanuidylpropanoate (CID 156903426) is methyl 3-methyliodanuidylpropanoate.
What is the SMILES notation for methyl 3-methyliodanuidylpropanoate?
The canonical SMILES for methyl 3-methyliodanuidylpropanoate is COC(=O)CC[I-]C.
What is the InChIKey of methyl 3-methyliodanuidylpropanoate?
The InChIKey is WXKSTWHQVPZPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10IO2/c1-6-4-3-5(7)8-2/h3-4H2,1-2H3/q-1.
What are the key properties of methyl 3-methyliodanuidylpropanoate?
methyl 3-methyliodanuidylpropanoate has a molecular weight of 229.04 g/mol, XLogP of -2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyliodanuidylpropanoate is sourced from PubChem (CID 156903426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).