ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate

C14H23NO5 — CID 11346670

IUPACditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyMPNWQUWKRDADHK-JTQLQIEISA-N
MW285.34 g/mol
LogP1.91
Rot. Bonds1

About ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate

ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 11346670) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
PubChem CID11346670
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nameditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyMPNWQUWKRDADHK-JTQLQIEISA-N
XLogP1.91
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate (CID 11346670) is ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is MPNWQUWKRDADHK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h10H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate?
ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 285.34 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11346670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).