tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+)

C20H24N4O12Sn — CID 164511755

IUPACtetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+)
SMILESO=C1CC[C@@H](C(=O)[O-])N1.O=C1CC[C@@H](C(=O)[O-])N1.O=C1CC[C@@H](C(=O)[O-])N1.O=C1CC[C@@H](C(=O)[O-])N1.[Sn+4]
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-8.32
Rot. Bonds4

About tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+)

tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+) (PubChem CID 164511755) has the molecular formula C20H24N4O12Sn and a molecular weight of 631.14 g/mol. Its IUPAC name is tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+).

Molecular Properties

Compound Nametetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+)
PubChem CID164511755
Molecular FormulaC20H24N4O12Sn
Molecular Weight631.14 g/mol
Exact Mass632.04
IUPAC Nametetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+)
SMILESO=C1CC[C@@H](C(=O)[O-])N1.O=C1CC[C@@H](C(=O)[O-])N1.O=C1CC[C@@H](C(=O)[O-])N1.O=C1CC[C@@H](C(=O)[O-])N1.[Sn+4]
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-8.32
TPSA276.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.14
LogP ≤ 5-8.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+)?
The IUPAC name of tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+) (CID 164511755) is tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+).
What is the SMILES notation for tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+)?
The canonical SMILES for tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+) 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.O=C1CC[C@@H](C(=O)[O-])N1.[Sn+4].
What is the InChIKey of tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+)?
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 tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+)?
tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+) has a molecular weight of 631.14 g/mol, XLogP of -8.32, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+) is sourced from PubChem (CID 164511755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).