(2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine

C13H27NO — CID 166767251

IUPAC(2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine
SMILESCO[C@H]1CCN(C(C)(C)C)[C@@H]1C(C)(C)C
InChIInChI=1S/C13H27NO/c1-12(2,3)11-10(15-7)8-9-14(11)13(4,5)6/h10-11H,8-9H2,1-7H3/t10-,11-/m0/s1
InChIKeyPDWQCUILJHDXSS-QWRGUYRKSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds1

About (2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine

(2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine (PubChem CID 166767251) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine.

Molecular Properties

Compound Name(2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine
PubChem CID166767251
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine
SMILESCO[C@H]1CCN(C(C)(C)C)[C@@H]1C(C)(C)C
InChIInChI=1S/C13H27NO/c1-12(2,3)11-10(15-7)8-9-14(11)13(4,5)6/h10-11H,8-9H2,1-7H3/t10-,11-/m0/s1
InChIKeyPDWQCUILJHDXSS-QWRGUYRKSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine?
The IUPAC name of (2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine (CID 166767251) is (2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine.
What is the SMILES notation for (2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine?
The canonical SMILES for (2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine is CO[C@H]1CCN(C(C)(C)C)[C@@H]1C(C)(C)C.
What is the InChIKey of (2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine?
The InChIKey is PDWQCUILJHDXSS-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)11-10(15-7)8-9-14(11)13(4,5)6/h10-11H,8-9H2,1-7H3/t10-,11-/m0/s1.
What are the key properties of (2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine?
(2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine is sourced from PubChem (CID 166767251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).