(2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine

C9H19NO3 — CID 71355696

IUPAC(2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine
SMILESCOCCOCOC[C@@H]1CCCN1
InChIInChI=1S/C9H19NO3/c1-11-5-6-12-8-13-7-9-3-2-4-10-9/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyWYZMRQMILBWCHE-VIFPVBQESA-N
MW189.25 g/mol
LogP0.38
Rot. Bonds7

About (2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine

(2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine (PubChem CID 71355696) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine
PubChem CID71355696
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine
SMILESCOCCOCOC[C@@H]1CCCN1
InChIInChI=1S/C9H19NO3/c1-11-5-6-12-8-13-7-9-3-2-4-10-9/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyWYZMRQMILBWCHE-VIFPVBQESA-N
XLogP0.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine (CID 71355696) is (2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine is COCCOCOC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine?
The InChIKey is WYZMRQMILBWCHE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO3/c1-11-5-6-12-8-13-7-9-3-2-4-10-9/h9-10H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine?
(2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine is sourced from PubChem (CID 71355696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).