2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid

C18H19NO4Sn — CID 16683135

IUPAC2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid
SMILESO=C(O)CN1CC(=O)O[Sn]1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/2C7H7.C4H6NO4.Sn/c2*1-7-5-3-2-4-6-7;6-3(7)1-5-2-4(8)9;/h2*2-6H,1H2;1-2H2,(H,6,7)(H,8,9);/q;;-1;+2/p-1
InChIKeySHAGVVLQEINOPO-UHFFFAOYSA-M
MW432.06 g/mol
LogP1.94
Rot. Bonds6

About 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid

2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid (PubChem CID 16683135) has the molecular formula C18H19NO4Sn and a molecular weight of 432.06 g/mol. Its IUPAC name is 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid
PubChem CID16683135
Molecular FormulaC18H19NO4Sn
Molecular Weight432.06 g/mol
Exact Mass433.03
IUPAC Name2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid
SMILESO=C(O)CN1CC(=O)O[Sn]1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/2C7H7.C4H6NO4.Sn/c2*1-7-5-3-2-4-6-7;6-3(7)1-5-2-4(8)9;/h2*2-6H,1H2;1-2H2,(H,6,7)(H,8,9);/q;;-1;+2/p-1
InChIKeySHAGVVLQEINOPO-UHFFFAOYSA-M
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.06
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid?
The IUPAC name of 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid (CID 16683135) is 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid?
The canonical SMILES for 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid is O=C(O)CN1CC(=O)O[Sn]1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid?
The InChIKey is SHAGVVLQEINOPO-UHFFFAOYSA-M. The full InChI is InChI=1S/2C7H7.C4H6NO4.Sn/c2*1-7-5-3-2-4-6-7;6-3(7)1-5-2-4(8)9;/h2*2-6H,1H2;1-2H2,(H,6,7)(H,8,9);/q;;-1;+2/p-1.
What are the key properties of 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid?
2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid has a molecular weight of 432.06 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid is sourced from PubChem (CID 16683135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).