bromozinc(1+);methyl 2-methanidylpropanoate

C5H9BrO2Zn — CID 4304159

IUPACbromozinc(1+);methyl 2-methanidylpropanoate
SMILES[CH2-]C(C)C(=O)OC.[Zn+]Br
InChIInChI=1S/C5H9O2.BrH.Zn/c1-4(2)5(6)7-3;;/h4H,1H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyZHZWKFSRZQRSJL-UHFFFAOYSA-M
MW246.42 g/mol
LogP1.47
Rot. Bonds1

About bromozinc(1+);methyl 2-methanidylpropanoate

bromozinc(1+);methyl 2-methanidylpropanoate (PubChem CID 4304159) has the molecular formula C5H9BrO2Zn and a molecular weight of 246.42 g/mol. Its IUPAC name is bromozinc(1+);methyl 2-methanidylpropanoate.

Molecular Properties

Compound Namebromozinc(1+);methyl 2-methanidylpropanoate
PubChem CID4304159
Molecular FormulaC5H9BrO2Zn
Molecular Weight246.42 g/mol
Exact Mass243.91
IUPAC Namebromozinc(1+);methyl 2-methanidylpropanoate
SMILES[CH2-]C(C)C(=O)OC.[Zn+]Br
InChIInChI=1S/C5H9O2.BrH.Zn/c1-4(2)5(6)7-3;;/h4H,1H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyZHZWKFSRZQRSJL-UHFFFAOYSA-M
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methanidylpropanoate;zinc
CID 170330092
bromozinc(1+);methyl 3-methanidylbutanoate
CID 155743188
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551
methyl 2-aminopropanoate
CID 159707893
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
tetramethyl 2-methylpropane-1,1,3,3-tetracarboxylate
CID 2192496
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (Z)-2,3-dimethylpent-3-enoate
CID 134940363

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);methyl 2-methanidylpropanoate?
The IUPAC name of bromozinc(1+);methyl 2-methanidylpropanoate (CID 4304159) is bromozinc(1+);methyl 2-methanidylpropanoate.
What is the SMILES notation for bromozinc(1+);methyl 2-methanidylpropanoate?
The canonical SMILES for bromozinc(1+);methyl 2-methanidylpropanoate is [CH2-]C(C)C(=O)OC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);methyl 2-methanidylpropanoate?
The InChIKey is ZHZWKFSRZQRSJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9O2.BrH.Zn/c1-4(2)5(6)7-3;;/h4H,1H2,2-3H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);methyl 2-methanidylpropanoate?
bromozinc(1+);methyl 2-methanidylpropanoate has a molecular weight of 246.42 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);methyl 2-methanidylpropanoate is sourced from PubChem (CID 4304159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).