(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine

C10H21NO2 — CID 166649366

IUPAC(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine
SMILESCO[C@@H]1CN(C(C)(C)C)C[C@H]1OC
InChIInChI=1S/C10H21NO2/c1-10(2,3)11-6-8(12-4)9(7-11)13-5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyPHNCHPPHDCJJAJ-RKDXNWHRSA-N
MW187.28 g/mol
LogP1.13
Rot. Bonds2

About (3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine

(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine (PubChem CID 166649366) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine.

Molecular Properties

Compound Name(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine
PubChem CID166649366
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine
SMILESCO[C@@H]1CN(C(C)(C)C)C[C@H]1OC
InChIInChI=1S/C10H21NO2/c1-10(2,3)11-6-8(12-4)9(7-11)13-5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyPHNCHPPHDCJJAJ-RKDXNWHRSA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.13
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-3,4-dimethoxypyrrolidine?
The IUPAC name of (3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine (CID 166649366) is (3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine.
What is the SMILES notation for (3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine?
The canonical SMILES for (3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine is CO[C@@H]1CN(C(C)(C)C)C[C@H]1OC.
What is the InChIKey of (3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine?
The InChIKey is PHNCHPPHDCJJAJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)11-6-8(12-4)9(7-11)13-5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine?
(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.13, 2 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-3,4-dimethoxypyrrolidine is sourced from PubChem (CID 166649366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).