(3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine

C8H17NO4 — CID 14771970

IUPAC(3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine
SMILESCOCO[C@H]1CNC[C@H]1OCOC
InChIInChI=1S/C8H17NO4/c1-10-5-12-7-3-9-4-8(7)13-6-11-2/h7-9H,3-6H2,1-2H3/t7-,8+
InChIKeyHUJDBIKWVYGQEC-OCAPTIKFSA-N
MW191.23 g/mol
LogP-0.43
Rot. Bonds6

About (3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine

(3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine (PubChem CID 14771970) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine.

Molecular Properties

Compound Name(3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine
PubChem CID14771970
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine
SMILESCOCO[C@H]1CNC[C@H]1OCOC
InChIInChI=1S/C8H17NO4/c1-10-5-12-7-3-9-4-8(7)13-6-11-2/h7-9H,3-6H2,1-2H3/t7-,8+
InChIKeyHUJDBIKWVYGQEC-OCAPTIKFSA-N
XLogP-0.43
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine?
The IUPAC name of (3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine (CID 14771970) is (3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine.
What is the SMILES notation for (3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine?
The canonical SMILES for (3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine is COCO[C@H]1CNC[C@H]1OCOC.
What is the InChIKey of (3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine?
The InChIKey is HUJDBIKWVYGQEC-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H17NO4/c1-10-5-12-7-3-9-4-8(7)13-6-11-2/h7-9H,3-6H2,1-2H3/t7-,8+.
What are the key properties of (3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine?
(3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine has a molecular weight of 191.23 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-bis(methoxymethoxy)pyrrolidine is sourced from PubChem (CID 14771970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).