tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate

C15H24N2O3 — CID 129045927

IUPACtert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate
SMILESCC1CC(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)=CC=N1
InChIInChI=1S/C15H24N2O3/c1-11-9-12(5-7-16-11)19-13-6-8-17(10-13)14(18)20-15(2,3)4/h5,7,11,13H,6,8-10H2,1-4H3/t11?,13-/m1/s1
InChIKeyVERMNYADSHLZPT-GLGOKHISSA-N
MW280.37 g/mol
LogP2.76
Rot. Bonds2

About tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate (PubChem CID 129045927) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate
PubChem CID129045927
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate
SMILESCC1CC(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)=CC=N1
InChIInChI=1S/C15H24N2O3/c1-11-9-12(5-7-16-11)19-13-6-8-17(10-13)14(18)20-15(2,3)4/h5,7,11,13H,6,8-10H2,1-4H3/t11?,13-/m1/s1
InChIKeyVERMNYADSHLZPT-GLGOKHISSA-N
XLogP2.76
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl 3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 76819357
tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011
tert-butyl 3-(3-amino-5-chlorophenoxy)pyrrolidine-1-carboxylate
CID 164584435
tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 140872433
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate
CID 71629716
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate (CID 129045927) is tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate is CC1CC(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)=CC=N1.
What is the InChIKey of tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate?
The InChIKey is VERMNYADSHLZPT-GLGOKHISSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-9-12(5-7-16-11)19-13-6-8-17(10-13)14(18)20-15(2,3)4/h5,7,11,13H,6,8-10H2,1-4H3/t11?,13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(2-methyl-2,3-dihydropyridin-4-yl)oxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 129045927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).