bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate

C16H24NO9- — CID 11964456

IUPACbis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate
SMILESCC(=O)OCOC(=O)[C@@H]1[C@@H](C(=O)OCOC(C)=O)C(C)(C)N([O-])C1(C)C
InChIInChI=1S/C16H24NO9/c1-9(18)23-7-25-13(20)11-12(14(21)26-8-24-10(2)19)16(5,6)17(22)15(11,3)4/h11-12H,7-8H2,1-6H3/q-1/t11-,12-/m0/s1
InChIKeyPYBNPRKTBHFMJE-RYUDHWBXSA-N
MW374.37 g/mol
LogP0.72
Rot. Bonds6

About bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate

bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate (PubChem CID 11964456) has the molecular formula C16H24NO9- and a molecular weight of 374.37 g/mol. Its IUPAC name is bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate.

Molecular Properties

Compound Namebis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate
PubChem CID11964456
Molecular FormulaC16H24NO9-
Molecular Weight374.37 g/mol
Exact Mass374.15
IUPAC Namebis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate
SMILESCC(=O)OCOC(=O)[C@@H]1[C@@H](C(=O)OCOC(C)=O)C(C)(C)N([O-])C1(C)C
InChIInChI=1S/C16H24NO9/c1-9(18)23-7-25-13(20)11-12(14(21)26-8-24-10(2)19)16(5,6)17(22)15(11,3)4/h11-12H,7-8H2,1-6H3/q-1/t11-,12-/m0/s1
InChIKeyPYBNPRKTBHFMJE-RYUDHWBXSA-N
XLogP0.72
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate?
The IUPAC name of bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate (CID 11964456) is bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate.
What is the SMILES notation for bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate?
The canonical SMILES for bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate is CC(=O)OCOC(=O)[C@@H]1[C@@H](C(=O)OCOC(C)=O)C(C)(C)N([O-])C1(C)C.
What is the InChIKey of bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate?
The InChIKey is PYBNPRKTBHFMJE-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H24NO9/c1-9(18)23-7-25-13(20)11-12(14(21)26-8-24-10(2)19)16(5,6)17(22)15(11,3)4/h11-12H,7-8H2,1-6H3/q-1/t11-,12-/m0/s1.
What are the key properties of bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate?
bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate has a molecular weight of 374.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate is sourced from PubChem (CID 11964456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).