2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol

C10H21NO2 — CID 176889708

IUPAC2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol
SMILESCC(C)(C)C1NCC[C@H]1OCCO
InChIInChI=1S/C10H21NO2/c1-10(2,3)9-8(4-5-11-9)13-7-6-12/h8-9,11-12H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyCIJYENHCYFZAEV-VEDVMXKPSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds3

About 2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol

2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol (PubChem CID 176889708) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol
PubChem CID176889708
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol
SMILESCC(C)(C)C1NCC[C@H]1OCCO
InChIInChI=1S/C10H21NO2/c1-10(2,3)9-8(4-5-11-9)13-7-6-12/h8-9,11-12H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyCIJYENHCYFZAEV-VEDVMXKPSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol?
The IUPAC name of 2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol (CID 176889708) is 2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol?
The canonical SMILES for 2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol is CC(C)(C)C1NCC[C@H]1OCCO.
What is the InChIKey of 2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol?
The InChIKey is CIJYENHCYFZAEV-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)9-8(4-5-11-9)13-7-6-12/h8-9,11-12H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of 2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol?
2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2-tert-butylpyrrolidin-3-yl]oxyethanol is sourced from PubChem (CID 176889708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).