1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate

C17H21NO5 — CID 124632369

IUPAC1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC(=O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H21NO5/c1-17(2,3)23-15(20)14-9-13(19)10-18(14)16(21)22-11-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3/t14-/m1/s1
InChIKeyUOZXRTSYHFCTJZ-CQSZACIVSA-N
MW319.36 g/mol
LogP2.31
Rot. Bonds3

About 1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate

1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 124632369) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate
PubChem CID124632369
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC(=O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H21NO5/c1-17(2,3)23-15(20)14-9-13(19)10-18(14)16(21)22-11-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3/t14-/m1/s1
InChIKeyUOZXRTSYHFCTJZ-CQSZACIVSA-N
XLogP2.31
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate (CID 124632369) is 1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@H]1CC(=O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is UOZXRTSYHFCTJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO5/c1-17(2,3)23-15(20)14-9-13(19)10-18(14)16(21)22-11-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate?
1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 319.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 124632369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).