2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol

C10H21NO3 — CID 10798196

IUPAC2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol
SMILESCOC[C@H]1CC[C@H](COC)N1CCO
InChIInChI=1S/C10H21NO3/c1-13-7-9-3-4-10(8-14-2)11(9)5-6-12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyFFEUYDWSZOXYKA-NXEZZACHSA-N
MW203.28 g/mol
LogP0.10
Rot. Bonds6

About 2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol

2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol (PubChem CID 10798196) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol
PubChem CID10798196
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol
SMILESCOC[C@H]1CC[C@H](COC)N1CCO
InChIInChI=1S/C10H21NO3/c1-13-7-9-3-4-10(8-14-2)11(9)5-6-12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyFFEUYDWSZOXYKA-NXEZZACHSA-N
XLogP0.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol (CID 10798196) is 2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol is COC[C@H]1CC[C@H](COC)N1CCO.
What is the InChIKey of 2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is FFEUYDWSZOXYKA-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO3/c1-13-7-9-3-4-10(8-14-2)11(9)5-6-12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol?
2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 203.28 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 10798196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).