2-carboxyethylaluminum(2+)

C3H5AlO2+2 — CID 174870396

IUPAC2-carboxyethylaluminum(2+)
SMILESO=C(O)CC[Al+2]
InChIInChI=1S/C3H5O2.Al/c1-2-3(4)5;/h1-2H2,(H,4,5);/q;+2
InChIKeyLHIDTBREKJCNNG-UHFFFAOYSA-N
MW100.05 g/mol
LogP0.05
Rot. Bonds2

About 2-carboxyethylaluminum(2+)

2-carboxyethylaluminum(2+) (PubChem CID 174870396) has the molecular formula C3H5AlO2+2 and a molecular weight of 100.05 g/mol. Its IUPAC name is 2-carboxyethylaluminum(2+).

Molecular Properties

Compound Name2-carboxyethylaluminum(2+)
PubChem CID174870396
Molecular FormulaC3H5AlO2+2
Molecular Weight100.05 g/mol
Exact Mass100.01
IUPAC Name2-carboxyethylaluminum(2+)
SMILESO=C(O)CC[Al+2]
InChIInChI=1S/C3H5O2.Al/c1-2-3(4)5;/h1-2H2,(H,4,5);/q;+2
InChIKeyLHIDTBREKJCNNG-UHFFFAOYSA-N
XLogP0.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.05
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)
CID 174870395
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
ethane-1,2-diol;heptanedioic acid
CID 130422873

Frequently Asked Questions

What is the IUPAC name of 2-carboxyethylaluminum(2+)?
The IUPAC name of 2-carboxyethylaluminum(2+) (CID 174870396) is 2-carboxyethylaluminum(2+).
What is the SMILES notation for 2-carboxyethylaluminum(2+)?
The canonical SMILES for 2-carboxyethylaluminum(2+) is O=C(O)CC[Al+2].
What is the InChIKey of 2-carboxyethylaluminum(2+)?
The InChIKey is LHIDTBREKJCNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O2.Al/c1-2-3(4)5;/h1-2H2,(H,4,5);/q;+2.
What are the key properties of 2-carboxyethylaluminum(2+)?
2-carboxyethylaluminum(2+) has a molecular weight of 100.05 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyethylaluminum(2+) is sourced from PubChem (CID 174870396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).