methyl 2-methanidylpropanoate;zinc

C5H9O2Zn- — CID 170330092

IUPACmethyl 2-methanidylpropanoate;zinc
SMILES[CH2-]C(C)C(=O)OC.[Zn]
InChIInChI=1S/C5H9O2.Zn/c1-4(2)5(6)7-3;/h4H,1H2,2-3H3;/q-1;
InChIKeyBMEMKUQRVGYIPO-UHFFFAOYSA-N
MW166.51 g/mol
LogP0.63
Rot. Bonds1

About methyl 2-methanidylpropanoate;zinc

methyl 2-methanidylpropanoate;zinc (PubChem CID 170330092) has the molecular formula C5H9O2Zn- and a molecular weight of 166.51 g/mol. Its IUPAC name is methyl 2-methanidylpropanoate;zinc.

Molecular Properties

Compound Namemethyl 2-methanidylpropanoate;zinc
PubChem CID170330092
Molecular FormulaC5H9O2Zn-
Molecular Weight166.51 g/mol
Exact Mass164.99
IUPAC Namemethyl 2-methanidylpropanoate;zinc
SMILES[CH2-]C(C)C(=O)OC.[Zn]
InChIInChI=1S/C5H9O2.Zn/c1-4(2)5(6)7-3;/h4H,1H2,2-3H3;/q-1;
InChIKeyBMEMKUQRVGYIPO-UHFFFAOYSA-N
XLogP0.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.51
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-methanidylpropanoate;zinc?
The IUPAC name of methyl 2-methanidylpropanoate;zinc (CID 170330092) is methyl 2-methanidylpropanoate;zinc.
What is the SMILES notation for methyl 2-methanidylpropanoate;zinc?
The canonical SMILES for methyl 2-methanidylpropanoate;zinc is [CH2-]C(C)C(=O)OC.[Zn].
What is the InChIKey of methyl 2-methanidylpropanoate;zinc?
The InChIKey is BMEMKUQRVGYIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2.Zn/c1-4(2)5(6)7-3;/h4H,1H2,2-3H3;/q-1;.
What are the key properties of methyl 2-methanidylpropanoate;zinc?
methyl 2-methanidylpropanoate;zinc has a molecular weight of 166.51 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methanidylpropanoate;zinc is sourced from PubChem (CID 170330092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).