aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate)

C15H18AlN3O9 — CID 90479550

IUPACaluminum tris((2R)-5-oxopyrrolidine-2-carboxylate)
SMILESO=C1CC[C@H](C(=O)[O-])N1.O=C1CC[C@H](C(=O)[O-])N1.O=C1CC[C@H](C(=O)[O-])N1.[Al+3]
InChIInChI=1S/3C5H7NO3.Al/c3*7-4-2-1-3(6-4)5(8)9;/h3*3H,1-2H2,(H,6,7)(H,8,9);/q;;;+3/p-3/t3*3-;/m111./s1
InChIKeyOYGSFRHDRNJHBP-DHNLYWTJSA-K
MW411.30 g/mol
LogP-6.34
Rot. Bonds3

About aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate)

aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate) (PubChem CID 90479550) has the molecular formula C15H18AlN3O9 and a molecular weight of 411.30 g/mol. Its IUPAC name is aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate).

Molecular Properties

Compound Namealuminum tris((2R)-5-oxopyrrolidine-2-carboxylate)
PubChem CID90479550
Molecular FormulaC15H18AlN3O9
Molecular Weight411.30 g/mol
Exact Mass411.09
IUPAC Namealuminum tris((2R)-5-oxopyrrolidine-2-carboxylate)
SMILESO=C1CC[C@H](C(=O)[O-])N1.O=C1CC[C@H](C(=O)[O-])N1.O=C1CC[C@H](C(=O)[O-])N1.[Al+3]
InChIInChI=1S/3C5H7NO3.Al/c3*7-4-2-1-3(6-4)5(8)9;/h3*3H,1-2H2,(H,6,7)(H,8,9);/q;;;+3/p-3/t3*3-;/m111./s1
InChIKeyOYGSFRHDRNJHBP-DHNLYWTJSA-K
XLogP-6.34
TPSA207.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 5-6.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate)?
The IUPAC name of aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate) (CID 90479550) is aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate).
What is the SMILES notation for aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate)?
The canonical SMILES for aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate) is O=C1CC[C@H](C(=O)[O-])N1.O=C1CC[C@H](C(=O)[O-])N1.O=C1CC[C@H](C(=O)[O-])N1.[Al+3].
What is the InChIKey of aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate)?
The InChIKey is OYGSFRHDRNJHBP-DHNLYWTJSA-K. The full InChI is InChI=1S/3C5H7NO3.Al/c3*7-4-2-1-3(6-4)5(8)9;/h3*3H,1-2H2,(H,6,7)(H,8,9);/q;;;+3/p-3/t3*3-;/m111./s1.
What are the key properties of aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate)?
aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate) has a molecular weight of 411.30 g/mol, XLogP of -6.34, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris((2R)-5-oxopyrrolidine-2-carboxylate) is sourced from PubChem (CID 90479550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).