alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride

C9H15AlClNO2Zr — CID 173334199

IUPACalumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)O.[AlH3].[Zr]
InChIInChI=1S/C9H11NO2.Al.ClH.Zr.3H/c10-8(9(11)12)6-7-4-2-1-3-5-7;;;;;;/h1-5,8H,6,10H2,(H,11,12);;1H;;;;
InChIKeyQFJKBNKKWOBIGK-UHFFFAOYSA-N
MW322.88 g/mol
LogP-0.12
Rot. Bonds3

About alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride

alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride (PubChem CID 173334199) has the molecular formula C9H15AlClNO2Zr and a molecular weight of 322.88 g/mol. Its IUPAC name is alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride.

Molecular Properties

Compound Namealumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
PubChem CID173334199
Molecular FormulaC9H15AlClNO2Zr
Molecular Weight322.88 g/mol
Exact Mass320.97
IUPAC Namealumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)O.[AlH3].[Zr]
InChIInChI=1S/C9H11NO2.Al.ClH.Zr.3H/c10-8(9(11)12)6-7-4-2-1-3-5-7;;;;;;/h1-5,8H,6,10H2,(H,11,12);;1H;;;;
InChIKeyQFJKBNKKWOBIGK-UHFFFAOYSA-N
XLogP-0.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 5-0.12
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 alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride?
The IUPAC name of alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride (CID 173334199) is alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride.
What is the SMILES notation for alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride?
The canonical SMILES for alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)O.[AlH3].[Zr].
What is the InChIKey of alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride?
The InChIKey is QFJKBNKKWOBIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.Al.ClH.Zr.3H/c10-8(9(11)12)6-7-4-2-1-3-5-7;;;;;;/h1-5,8H,6,10H2,(H,11,12);;1H;;;;.
What are the key properties of alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride?
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride is sourced from PubChem (CID 173334199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).