(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol

C11H23NO2 — CID 59953233

IUPAC(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol
SMILESCC[C@@H](C)C(O)[C@@H]1CC(OC)CN1C
InChIInChI=1S/C11H23NO2/c1-5-8(2)11(13)10-6-9(14-4)7-12(10)3/h8-11,13H,5-7H2,1-4H3/t8-,9?,10+,11?/m1/s1
InChIKeyBPIZKZSTVMGNMZ-VKAADOFISA-N
MW201.31 g/mol
LogP1.11
Rot. Bonds4

About (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol

(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol (PubChem CID 59953233) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol
PubChem CID59953233
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol
SMILESCC[C@@H](C)C(O)[C@@H]1CC(OC)CN1C
InChIInChI=1S/C11H23NO2/c1-5-8(2)11(13)10-6-9(14-4)7-12(10)3/h8-11,13H,5-7H2,1-4H3/t8-,9?,10+,11?/m1/s1
InChIKeyBPIZKZSTVMGNMZ-VKAADOFISA-N
XLogP1.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-1-methylpyrrolidin-2-yl)-2-methylbutan-1-ol
CID 20647905
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol
CID 59953228
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol
CID 59885099
1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
CID 178105166
(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium
CID 159274236
(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid
CID 166681264
(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol
CID 89090789
O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 164903841
1-[(3-methoxycyclobutyl)amino]pentan-3-ol
CID 104871930
(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine
CID 126985147
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
1-(3-methoxyazetidin-1-yl)propan-2-ol
CID 126973560

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol?
The IUPAC name of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol (CID 59953233) is (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol?
The canonical SMILES for (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol is CC[C@@H](C)C(O)[C@@H]1CC(OC)CN1C.
What is the InChIKey of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol?
The InChIKey is BPIZKZSTVMGNMZ-VKAADOFISA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-8(2)11(13)10-6-9(14-4)7-12(10)3/h8-11,13H,5-7H2,1-4H3/t8-,9?,10+,11?/m1/s1.
What are the key properties of (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol?
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 59953233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).