alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium

C6H17AlClNO5Zr — CID 174619479

IUPACalumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium
SMILESCC(O)C(O)(O)Cl.NCCC(=O)O.[AlH3].[Zr]
InChIInChI=1S/C3H7ClO3.C3H7NO2.Al.Zr.3H/c1-2(5)3(4,6)7;4-2-1-3(5)6;;;;;/h2,5-7H,1H3;1-2,4H2,(H,5,6);;;;;
InChIKeyXGJRCFNDRPTQKP-UHFFFAOYSA-N
MW336.86 g/mol
LogP-2.52
Rot. Bonds3

About alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium

alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium (PubChem CID 174619479) has the molecular formula C6H17AlClNO5Zr and a molecular weight of 336.86 g/mol. Its IUPAC name is alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium.

Molecular Properties

Compound Namealumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium
PubChem CID174619479
Molecular FormulaC6H17AlClNO5Zr
Molecular Weight336.86 g/mol
Exact Mass334.97
IUPAC Namealumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium
SMILESCC(O)C(O)(O)Cl.NCCC(=O)O.[AlH3].[Zr]
InChIInChI=1S/C3H7ClO3.C3H7NO2.Al.Zr.3H/c1-2(5)3(4,6)7;4-2-1-3(5)6;;;;;/h2,5-7H,1H3;1-2,4H2,(H,5,6);;;;;
InChIKeyXGJRCFNDRPTQKP-UHFFFAOYSA-N
XLogP-2.52
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 5-2.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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5-hydroxy-4,4-dimethylhexanoic acid
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ethane-1,1-diol;hexanedioic acid
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bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)
CID 159935157
3-aminopropanoic acid;propanoic acid;prop-1-ene
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CID 175213071

Frequently Asked Questions

What is the IUPAC name of alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium?
The IUPAC name of alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium (CID 174619479) is alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium.
What is the SMILES notation for alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium?
The canonical SMILES for alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium is CC(O)C(O)(O)Cl.NCCC(=O)O.[AlH3].[Zr].
What is the InChIKey of alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium?
The InChIKey is XGJRCFNDRPTQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO3.C3H7NO2.Al.Zr.3H/c1-2(5)3(4,6)7;4-2-1-3(5)6;;;;;/h2,5-7H,1H3;1-2,4H2,(H,5,6);;;;;.
What are the key properties of alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium?
alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium has a molecular weight of 336.86 g/mol, XLogP of -2.52, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium is sourced from PubChem (CID 174619479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).