aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)

C5H9AlNO2Zr+5 — CID 19939640

IUPACaluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
SMILESO=C(O)C1CCCN1.[Al+3].[Zr+2]
InChIInChI=1S/C5H9NO2.Al.Zr/c7-5(8)4-2-1-3-6-4;;/h4,6H,1-3H2,(H,7,8);;/q;+3;+2
InChIKeyNDMPKDFVAUZLQE-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.56
Rot. Bonds1

About aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)

aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+) (PubChem CID 19939640) has the molecular formula C5H9AlNO2Zr+5 and a molecular weight of 233.34 g/mol. Its IUPAC name is aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+).

Molecular Properties

Compound Namealuminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
PubChem CID19939640
Molecular FormulaC5H9AlNO2Zr+5
Molecular Weight233.34 g/mol
Exact Mass231.95
IUPAC Namealuminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
SMILESO=C(O)C1CCCN1.[Al+3].[Zr+2]
InChIInChI=1S/C5H9NO2.Al.Zr/c7-5(8)4-2-1-3-6-4;;/h4,6H,1-3H2,(H,7,8);;/q;+3;+2
InChIKeyNDMPKDFVAUZLQE-UHFFFAOYSA-N
XLogP-0.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)?
The IUPAC name of aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+) (CID 19939640) is aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+).
What is the SMILES notation for aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)?
The canonical SMILES for aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+) is O=C(O)C1CCCN1.[Al+3].[Zr+2].
What is the InChIKey of aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)?
The InChIKey is NDMPKDFVAUZLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.Al.Zr/c7-5(8)4-2-1-3-6-4;;/h4,6H,1-3H2,(H,7,8);;/q;+3;+2.
What are the key properties of aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)?
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+) has a molecular weight of 233.34 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+) is sourced from PubChem (CID 19939640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).