tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate

C13H24N2O2 — CID 68979695

IUPACtert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-9-6-11(10-15)14-7-4-5-8-14/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyPZJKCNYRLSBYMU-LLVKDONJSA-N
MW240.35 g/mol
LogP2.09
Rot. Bonds1

About tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate

tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate (PubChem CID 68979695) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate
PubChem CID68979695
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-9-6-11(10-15)14-7-4-5-8-14/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyPZJKCNYRLSBYMU-LLVKDONJSA-N
XLogP2.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate (CID 68979695) is tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N2CCCC2)C1.
What is the InChIKey of tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate?
The InChIKey is PZJKCNYRLSBYMU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-9-6-11(10-15)14-7-4-5-8-14/h11H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate?
tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 68979695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).