(3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine

C10H21NO2 — CID 167735138

IUPAC(3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine
SMILESCOC[C@]1(C)CNC[C@]1(C)COC
InChIInChI=1S/C10H21NO2/c1-9(7-12-3)5-11-6-10(9,2)8-13-4/h11H,5-8H2,1-4H3/t9-,10+
InChIKeyVGSUIOOWZIMBDH-AOOOYVTPSA-N
MW187.28 g/mol
LogP0.89
Rot. Bonds4

About (3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine

(3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine (PubChem CID 167735138) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine
PubChem CID167735138
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine
SMILESCOC[C@]1(C)CNC[C@]1(C)COC
InChIInChI=1S/C10H21NO2/c1-9(7-12-3)5-11-6-10(9,2)8-13-4/h11H,5-8H2,1-4H3/t9-,10+
InChIKeyVGSUIOOWZIMBDH-AOOOYVTPSA-N
XLogP0.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine?
The IUPAC name of (3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine (CID 167735138) is (3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine.
What is the SMILES notation for (3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine?
The canonical SMILES for (3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine is COC[C@]1(C)CNC[C@]1(C)COC.
What is the InChIKey of (3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine?
The InChIKey is VGSUIOOWZIMBDH-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(7-12-3)5-11-6-10(9,2)8-13-4/h11H,5-8H2,1-4H3/t9-,10+.
What are the key properties of (3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine?
(3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-bis(methoxymethyl)-3,4-dimethylpyrrolidine is sourced from PubChem (CID 167735138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).