(2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine

C10H21NO4 — CID 13263697

IUPAC(2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine
SMILESCOCOC[C@@H]1CC[C@@H](COCOC)N1
InChIInChI=1S/C10H21NO4/c1-12-7-14-5-9-3-4-10(11-9)6-15-8-13-2/h9-11H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyAZSOHULVQDDQGO-UWVGGRQHSA-N
MW219.28 g/mol
LogP0.35
Rot. Bonds8

About (2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine

(2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine (PubChem CID 13263697) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine
PubChem CID13263697
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine
SMILESCOCOC[C@@H]1CC[C@@H](COCOC)N1
InChIInChI=1S/C10H21NO4/c1-12-7-14-5-9-3-4-10(11-9)6-15-8-13-2/h9-11H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyAZSOHULVQDDQGO-UWVGGRQHSA-N
XLogP0.35
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine?
The IUPAC name of (2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine (CID 13263697) is (2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine?
The canonical SMILES for (2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine is COCOC[C@@H]1CC[C@@H](COCOC)N1.
What is the InChIKey of (2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine?
The InChIKey is AZSOHULVQDDQGO-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21NO4/c1-12-7-14-5-9-3-4-10(11-9)6-15-8-13-2/h9-11H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine?
(2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine has a molecular weight of 219.28 g/mol, XLogP of 0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidine is sourced from PubChem (CID 13263697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).