ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate

C14H23NO5 — CID 11129853

IUPACditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyINVKHBRFFCQICU-VIFPVBQESA-N
MW285.34 g/mol
LogP2.25
Rot. Bonds1

About ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate

ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 11129853) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID11129853
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nameditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyINVKHBRFFCQICU-VIFPVBQESA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate (CID 11129853) is ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is INVKHBRFFCQICU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate?
ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 285.34 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11129853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).