(2S)-2-(2-methoxyethoxymethyl)pyrrolidine

C8H17NO2 — CID 13397237

IUPAC(2S)-2-(2-methoxyethoxymethyl)pyrrolidine
SMILESCOCCOC[C@@H]1CCCN1
InChIInChI=1S/C8H17NO2/c1-10-5-6-11-7-8-3-2-4-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyGHZPSDVLVJFMJT-QMMMGPOBSA-N
MW159.23 g/mol
LogP0.40
Rot. Bonds5

About (2S)-2-(2-methoxyethoxymethyl)pyrrolidine

(2S)-2-(2-methoxyethoxymethyl)pyrrolidine (PubChem CID 13397237) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-2-(2-methoxyethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2-methoxyethoxymethyl)pyrrolidine
PubChem CID13397237
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-2-(2-methoxyethoxymethyl)pyrrolidine
SMILESCOCCOC[C@@H]1CCCN1
InChIInChI=1S/C8H17NO2/c1-10-5-6-11-7-8-3-2-4-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyGHZPSDVLVJFMJT-QMMMGPOBSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyethoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(2-methoxyethoxymethyl)pyrrolidine (CID 13397237) is (2S)-2-(2-methoxyethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2-methoxyethoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2-methoxyethoxymethyl)pyrrolidine is COCCOC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(2-methoxyethoxymethyl)pyrrolidine?
The InChIKey is GHZPSDVLVJFMJT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO2/c1-10-5-6-11-7-8-3-2-4-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyethoxymethyl)pyrrolidine?
(2S)-2-(2-methoxyethoxymethyl)pyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyethoxymethyl)pyrrolidine is sourced from PubChem (CID 13397237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).