(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C13H27NO2 — CID 57326559

IUPAC(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OC[C@@H]1C[C@@H](OC(C)(C)C)CN1
InChIInChI=1S/C13H27NO2/c1-12(2,3)15-9-10-7-11(8-14-10)16-13(4,5)6/h10-11,14H,7-9H2,1-6H3/t10-,11+/m0/s1
InChIKeyQSJJKGGNXZDVAY-WDEREUQCSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds3

About (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 57326559) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID57326559
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OC[C@@H]1C[C@@H](OC(C)(C)C)CN1
InChIInChI=1S/C13H27NO2/c1-12(2,3)15-9-10-7-11(8-14-10)16-13(4,5)6/h10-11,14H,7-9H2,1-6H3/t10-,11+/m0/s1
InChIKeyQSJJKGGNXZDVAY-WDEREUQCSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
(2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol
CID 57390610
(2s,4r)-4-Methoxy-2-(methoxymethyl)pyrrolidine
CID 13397591
(2R)-2-((tert-butoxy)methyl)pyrrolidine hydrochloride
CID 132327773
(2S)-2-[(tert-butoxy)methyl]pyrrolidine hydrochloride
CID 132327774
(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 57326560
4,4-Difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 129134151
(2S)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 138741168
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
4-Fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328264
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638921
(2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638926

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 57326559) is (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CC(C)(C)OC[C@@H]1C[C@@H](OC(C)(C)C)CN1.
What is the InChIKey of (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is QSJJKGGNXZDVAY-WDEREUQCSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,3)15-9-10-7-11(8-14-10)16-13(4,5)6/h10-11,14H,7-9H2,1-6H3/t10-,11+/m0/s1.
What are the key properties of (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 57326559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).