iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid

C5H11BINO3Zn — CID 59437343

IUPACiodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid
SMILES[CH2-][C@@H](NB(C)O)C(=O)OC.[Zn+]I
InChIInChI=1S/C5H11BNO3.HI.Zn/c1-4(5(8)10-3)7-6(2)9;;/h4,7,9H,1H2,2-3H3;1H;/q-1;;+2/p-1/t4-;;/m1../s1
InChIKeyCNMXIVSHQVGLFD-RZFWHQLPSA-M
MW336.25 g/mol
LogP-0.05
Rot. Bonds3

About iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid

iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid (PubChem CID 59437343) has the molecular formula C5H11BINO3Zn and a molecular weight of 336.25 g/mol. Its IUPAC name is iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid.

Molecular Properties

Compound Nameiodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid
PubChem CID59437343
Molecular FormulaC5H11BINO3Zn
Molecular Weight336.25 g/mol
Exact Mass334.92
IUPAC Nameiodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid
SMILES[CH2-][C@@H](NB(C)O)C(=O)OC.[Zn+]I
InChIInChI=1S/C5H11BNO3.HI.Zn/c1-4(5(8)10-3)7-6(2)9;;/h4,7,9H,1H2,2-3H3;1H;/q-1;;+2/p-1/t4-;;/m1../s1
InChIKeyCNMXIVSHQVGLFD-RZFWHQLPSA-M
XLogP-0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
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+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid?
The IUPAC name of iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid (CID 59437343) is iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid.
What is the SMILES notation for iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid?
The canonical SMILES for iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid is [CH2-][C@@H](NB(C)O)C(=O)OC.[Zn+]I.
What is the InChIKey of iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid?
The InChIKey is CNMXIVSHQVGLFD-RZFWHQLPSA-M. The full InChI is InChI=1S/C5H11BNO3.HI.Zn/c1-4(5(8)10-3)7-6(2)9;;/h4,7,9H,1H2,2-3H3;1H;/q-1;;+2/p-1/t4-;;/m1../s1.
What are the key properties of iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid?
iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid has a molecular weight of 336.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodozinc(1+);N-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylboronamidic acid is sourced from PubChem (CID 59437343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).