tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate

C13H18FN3O3 — CID 66519798

IUPACtert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H18FN3O3/c1-13(2,3)20-12(18)17-5-4-10(8-17)19-11-15-6-9(14)7-16-11/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1
InChIKeyLZSFSXFQAPNOHK-SNVBAGLBSA-N
MW283.30 g/mol
LogP2.00
Rot. Bonds2

About tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate

tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate (PubChem CID 66519798) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate
PubChem CID66519798
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Nametert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H18FN3O3/c1-13(2,3)20-12(18)17-5-4-10(8-17)19-11-15-6-9(14)7-16-11/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1
InChIKeyLZSFSXFQAPNOHK-SNVBAGLBSA-N
XLogP2.00
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate (CID 66519798) is tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate?
The InChIKey is LZSFSXFQAPNOHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-13(2,3)20-12(18)17-5-4-10(8-17)19-11-15-6-9(14)7-16-11/h6-7,10H,4-5,8H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate has a molecular weight of 283.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate is sourced from PubChem (CID 66519798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).