tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate

C14H25FN2O2 — CID 166507970

IUPACtert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN2CC[C@@H](F)C2)C1
InChIInChI=1S/C14H25FN2O2/c1-14(2,3)19-13(18)17-7-4-11(9-17)8-16-6-5-12(15)10-16/h11-12H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyIOXPGUJENXZPJG-PIJUOVFKSA-N
MW272.36 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 166507970) has the molecular formula C14H25FN2O2 and a molecular weight of 272.36 g/mol. Its IUPAC name is tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID166507970
Molecular FormulaC14H25FN2O2
Molecular Weight272.36 g/mol
Exact Mass272.19
IUPAC Nametert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN2CC[C@@H](F)C2)C1
InChIInChI=1S/C14H25FN2O2/c1-14(2,3)19-13(18)17-7-4-11(9-17)8-16-6-5-12(15)10-16/h11-12H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyIOXPGUJENXZPJG-PIJUOVFKSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate (CID 166507970) is tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN2CC[C@@H](F)C2)C1.
What is the InChIKey of tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is IOXPGUJENXZPJG-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H25FN2O2/c1-14(2,3)19-13(18)17-7-4-11(9-17)8-16-6-5-12(15)10-16/h11-12H,4-10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 272.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 166507970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).