ditert-butyl pyrrolidine-1,2-dicarboxylate

C14H25NO4 — CID 11149935

IUPACditert-butyl pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-13(2,3)18-11(16)10-8-7-9-15(10)12(17)19-14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyUMCYLERMBHATJC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.73
Rot. Bonds1

About ditert-butyl pyrrolidine-1,2-dicarboxylate

ditert-butyl pyrrolidine-1,2-dicarboxylate (PubChem CID 11149935) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ditert-butyl pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl pyrrolidine-1,2-dicarboxylate
PubChem CID11149935
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameditert-butyl pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-13(2,3)18-11(16)10-8-7-9-15(10)12(17)19-14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyUMCYLERMBHATJC-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl pyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl pyrrolidine-1,2-dicarboxylate (CID 11149935) is ditert-butyl pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl pyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl pyrrolidine-1,2-dicarboxylate?
The InChIKey is UMCYLERMBHATJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)18-11(16)10-8-7-9-15(10)12(17)19-14(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of ditert-butyl pyrrolidine-1,2-dicarboxylate?
ditert-butyl pyrrolidine-1,2-dicarboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11149935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).