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

C10H21NO2 — CID 57326560

IUPAC(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCO[C@H]1CN[C@H](COC(C)(C)C)C1
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-7-8-5-9(12-4)6-11-8/h8-9,11H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyXNWWQZPWBDANDZ-DTWKUNHWSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds3

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

(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 57326560) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID57326560
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCO[C@H]1CN[C@H](COC(C)(C)C)C1
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-7-8-5-9(12-4)6-11-8/h8-9,11H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyXNWWQZPWBDANDZ-DTWKUNHWSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
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
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
(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 176724696

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of (2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 57326560) is (2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CO[C@H]1CN[C@H](COC(C)(C)C)C1.
What is the InChIKey of (2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is XNWWQZPWBDANDZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)13-7-8-5-9(12-4)6-11-8/h8-9,11H,5-7H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 57326560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).