(3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine

C15H31NO2 — CID 174355578

IUPAC(3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine
SMILESCC(C)CO[C@@H]1CN(C(C)(C)C)C[C@H]1OC(C)C
InChIInChI=1S/C15H31NO2/c1-11(2)10-17-13-8-16(15(5,6)7)9-14(13)18-12(3)4/h11-14H,8-10H2,1-7H3/t13-,14-/m1/s1
InChIKeyFLXUUTIMZIWLAW-ZIAGYGMSSA-N
MW257.42 g/mol
LogP2.94
Rot. Bonds5

About (3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine

(3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine (PubChem CID 174355578) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name(3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine
PubChem CID174355578
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name(3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine
SMILESCC(C)CO[C@@H]1CN(C(C)(C)C)C[C@H]1OC(C)C
InChIInChI=1S/C15H31NO2/c1-11(2)10-17-13-8-16(15(5,6)7)9-14(13)18-12(3)4/h11-14H,8-10H2,1-7H3/t13-,14-/m1/s1
InChIKeyFLXUUTIMZIWLAW-ZIAGYGMSSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine?
The IUPAC name of (3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine (CID 174355578) is (3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine.
What is the SMILES notation for (3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine?
The canonical SMILES for (3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine is CC(C)CO[C@@H]1CN(C(C)(C)C)C[C@H]1OC(C)C.
What is the InChIKey of (3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine?
The InChIKey is FLXUUTIMZIWLAW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H31NO2/c1-11(2)10-17-13-8-16(15(5,6)7)9-14(13)18-12(3)4/h11-14H,8-10H2,1-7H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine?
(3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine has a molecular weight of 257.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-tert-butyl-3-(2-methylpropoxy)-4-propan-2-yloxypyrrolidine is sourced from PubChem (CID 174355578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).