4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine

C12H24N2O — CID 71122389

IUPAC4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine
SMILESCC(C)(C)[C@H]1NCC[C@@H]1N1CCOCC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)11-10(4-5-13-11)14-6-8-15-9-7-14/h10-11,13H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyZWKIXYKGSMSION-QWRGUYRKSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds1

About 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine

4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine (PubChem CID 71122389) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine
PubChem CID71122389
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine
SMILESCC(C)(C)[C@H]1NCC[C@@H]1N1CCOCC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)11-10(4-5-13-11)14-6-8-15-9-7-14/h10-11,13H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyZWKIXYKGSMSION-QWRGUYRKSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine (CID 71122389) is 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine is CC(C)(C)[C@H]1NCC[C@@H]1N1CCOCC1.
What is the InChIKey of 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine?
The InChIKey is ZWKIXYKGSMSION-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)11-10(4-5-13-11)14-6-8-15-9-7-14/h10-11,13H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine?
4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine is sourced from PubChem (CID 71122389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).