2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol

C11H22N2O2 — CID 176601552

IUPAC2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol
SMILESCC(C)N(CC1NCCC1O)C1COC1
InChIInChI=1S/C11H22N2O2/c1-8(2)13(9-6-15-7-9)5-10-11(14)3-4-12-10/h8-12,14H,3-7H2,1-2H3
InChIKeyBMWWYYXBJSLXMP-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.18
Rot. Bonds4

About 2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol

2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol (PubChem CID 176601552) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol
PubChem CID176601552
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol
SMILESCC(C)N(CC1NCCC1O)C1COC1
InChIInChI=1S/C11H22N2O2/c1-8(2)13(9-6-15-7-9)5-10-11(14)3-4-12-10/h8-12,14H,3-7H2,1-2H3
InChIKeyBMWWYYXBJSLXMP-UHFFFAOYSA-N
XLogP-0.18
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol (CID 176601552) is 2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol is CC(C)N(CC1NCCC1O)C1COC1.
What is the InChIKey of 2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is BMWWYYXBJSLXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)13(9-6-15-7-9)5-10-11(14)3-4-12-10/h8-12,14H,3-7H2,1-2H3.
What are the key properties of 2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol?
2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 214.31 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[oxetan-3-yl(propan-2-yl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 176601552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).