(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine

C10H19NO2 — CID 131154288

IUPAC(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine
SMILESCO[C@H]1CN(C2CCC2)C[C@H]1OC
InChIInChI=1S/C10H19NO2/c1-12-9-6-11(7-10(9)13-2)8-4-3-5-8/h8-10H,3-7H2,1-2H3/t9-,10+
InChIKeyFNXAXFOHUZKICW-AOOOYVTPSA-N
MW185.27 g/mol
LogP0.88
Rot. Bonds3

About (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine

(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine (PubChem CID 131154288) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine.

Molecular Properties

Compound Name(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine
PubChem CID131154288
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine
SMILESCO[C@H]1CN(C2CCC2)C[C@H]1OC
InChIInChI=1S/C10H19NO2/c1-12-9-6-11(7-10(9)13-2)8-4-3-5-8/h8-10H,3-7H2,1-2H3/t9-,10+
InChIKeyFNXAXFOHUZKICW-AOOOYVTPSA-N
XLogP0.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine
CID 162445121
(+)-(3s,4s)-3,4-dimethoxy-N-(2-(dimethylamino)ethyl)pyrrolidine
CID 12349499
3,4-Dimethoxy-1-methylpyrrolidine
CID 12349490
(3S,4S)-3,4-dimethoxy-1-methylpyrrolidine
CID 12349491
1-Tert-butyl-3,4-dimethoxypyrrolidine
CID 12349494
3-(2-Methoxyethoxy)-1-methylpyrrolidine
CID 18723111
(3S,4R)-3,4-dimethoxy-1-methylpyrrolidine
CID 57960389
2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine
CID 58454385
(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine
CID 59319954
(3S,4R)-3,4-diethoxy-1-methylpyrrolidine
CID 66596325
(3R,4R)-3,4-diethoxy-1-methylpyrrolidine
CID 66596326
(3R,4R)-3-ethoxy-1-methyl-4-propoxypyrrolidine
CID 66596328

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine?
The IUPAC name of (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine (CID 131154288) is (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine.
What is the SMILES notation for (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine?
The canonical SMILES for (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine is CO[C@H]1CN(C2CCC2)C[C@H]1OC.
What is the InChIKey of (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine?
The InChIKey is FNXAXFOHUZKICW-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-9-6-11(7-10(9)13-2)8-4-3-5-8/h8-10H,3-7H2,1-2H3/t9-,10+.
What are the key properties of (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine?
(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine has a molecular weight of 185.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine is sourced from PubChem (CID 131154288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).