iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C9H16INO4Zn — CID 11036668

IUPACiodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILES[CH2-][C@H](NC(=O)OC(C)(C)C)C(=O)OC.[Zn+]I
InChIInChI=1S/C9H16NO4.HI.Zn/c1-6(7(11)13-5)10-8(12)14-9(2,3)4;;/h6H,1H2,2-5H3,(H,10,12);1H;/q-1;;+2/p-1/t6-;;/m0../s1
InChIKeyWKJWYSDWTXBFAL-ILKKLZGPSA-M
MW394.52 g/mol
LogP1.77
Rot. Bonds2

About iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 11036668) has the molecular formula C9H16INO4Zn and a molecular weight of 394.52 g/mol. Its IUPAC name is iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Nameiodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID11036668
Molecular FormulaC9H16INO4Zn
Molecular Weight394.52 g/mol
Exact Mass392.94
IUPAC Nameiodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILES[CH2-][C@H](NC(=O)OC(C)(C)C)C(=O)OC.[Zn+]I
InChIInChI=1S/C9H16NO4.HI.Zn/c1-6(7(11)13-5)10-8(12)14-9(2,3)4;;/h6H,1H2,2-5H3,(H,10,12);1H;/q-1;;+2/p-1/t6-;;/m0../s1
InChIKeyWKJWYSDWTXBFAL-ILKKLZGPSA-M
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 11036668) is iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is [CH2-][C@H](NC(=O)OC(C)(C)C)C(=O)OC.[Zn+]I.
What is the InChIKey of iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is WKJWYSDWTXBFAL-ILKKLZGPSA-M. The full InChI is InChI=1S/C9H16NO4.HI.Zn/c1-6(7(11)13-5)10-8(12)14-9(2,3)4;;/h6H,1H2,2-5H3,(H,10,12);1H;/q-1;;+2/p-1/t6-;;/m0../s1.
What are the key properties of iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 394.52 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodozinc(1+);methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 11036668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).