(2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol

C8H17NO2 — CID 89143057

IUPAC(2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol
SMILESCCOC[C@@H]1[C@@H](O)CCN1C
InChIInChI=1S/C8H17NO2/c1-3-11-6-7-8(10)4-5-9(7)2/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyXXXFQAUCZBDOOM-SFYZADRCSA-N
MW159.23 g/mol
LogP0.09
Rot. Bonds3

About (2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol

(2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol (PubChem CID 89143057) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol
PubChem CID89143057
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol
SMILESCCOC[C@@H]1[C@@H](O)CCN1C
InChIInChI=1S/C8H17NO2/c1-3-11-6-7-8(10)4-5-9(7)2/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyXXXFQAUCZBDOOM-SFYZADRCSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of (2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol (CID 89143057) is (2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for (2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol is CCOC[C@@H]1[C@@H](O)CCN1C.
What is the InChIKey of (2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is XXXFQAUCZBDOOM-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-11-6-7-8(10)4-5-9(7)2/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol?
(2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 89143057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).