tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate

C20H24N4O12Sn — CID 56843335

IUPACtris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)O[Sn](OC(=O)[C@@H]2CCC(=O)N2)(OC(=O)[C@@H]2CCC(=O)N2)OC(=O)[C@@H]2CCC(=O)N2)N1
InChIInChI=1S/4C5H7NO3.Sn/c4*7-4-2-1-3(6-4)5(8)9;/h4*3H,1-2H2,(H,6,7)(H,8,9);/q;;;;+4/p-4/t4*3-;/m0000./s1
InChIKeyIQCMNTVCGMNTLL-GWJKCLFXSA-J
MW631.14 g/mol
LogP-3.29
Rot. Bonds8

About tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate

tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 56843335) has the molecular formula C20H24N4O12Sn and a molecular weight of 631.14 g/mol. Its IUPAC name is tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID56843335
Molecular FormulaC20H24N4O12Sn
Molecular Weight631.14 g/mol
Exact Mass632.04
IUPAC Nametris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)O[Sn](OC(=O)[C@@H]2CCC(=O)N2)(OC(=O)[C@@H]2CCC(=O)N2)OC(=O)[C@@H]2CCC(=O)N2)N1
InChIInChI=1S/4C5H7NO3.Sn/c4*7-4-2-1-3(6-4)5(8)9;/h4*3H,1-2H2,(H,6,7)(H,8,9);/q;;;;+4/p-4/t4*3-;/m0000./s1
InChIKeyIQCMNTVCGMNTLL-GWJKCLFXSA-J
XLogP-3.29
TPSA221.60 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.14
LogP ≤ 5-3.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate (CID 56843335) is tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate is O=C1CC[C@@H](C(=O)O[Sn](OC(=O)[C@@H]2CCC(=O)N2)(OC(=O)[C@@H]2CCC(=O)N2)OC(=O)[C@@H]2CCC(=O)N2)N1.
What is the InChIKey of tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is IQCMNTVCGMNTLL-GWJKCLFXSA-J. The full InChI is InChI=1S/4C5H7NO3.Sn/c4*7-4-2-1-3(6-4)5(8)9;/h4*3H,1-2H2,(H,6,7)(H,8,9);/q;;;;+4/p-4/t4*3-;/m0000./s1.
What are the key properties of tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate?
tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 631.14 g/mol, XLogP of -3.29, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[(2S)-5-oxopyrrolidine-2-carbonyl]oxy]stannyl (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 56843335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).