(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol

C11H23NO2 — CID 99995610

IUPAC(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
SMILESCOCCN1C[C@H](O)C[C@@H]1CC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)6-10-7-11(13)8-12(10)4-5-14-3/h9-11,13H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyKCSROKQMPMKGEU-WDEREUQCSA-N
MW201.31 g/mol
LogP1.11
Rot. Bonds5

About (3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol

(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 99995610) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID99995610
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
SMILESCOCCN1C[C@H](O)C[C@@H]1CC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)6-10-7-11(13)8-12(10)4-5-14-3/h9-11,13H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyKCSROKQMPMKGEU-WDEREUQCSA-N
XLogP1.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995622
1-(2-methoxyethyl)-5-propylpyrrolidin-3-ol
CID 102568675
(3S,5R)-1-butyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 124744564
1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 102568698
(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 99995450
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
CID 99995143
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960
1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64840397
(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 130621127
5-benzyl-1-(2-methoxyethyl)-2-(2-methylpropyl)piperazine
CID 64847819
5-ethyl-1-propylpyrrolidin-3-ol
CID 102568661
2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol
CID 156546441

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol (CID 99995610) is (3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol is COCCN1C[C@H](O)C[C@@H]1CC(C)C.
What is the InChIKey of (3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is KCSROKQMPMKGEU-WDEREUQCSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)6-10-7-11(13)8-12(10)4-5-14-3/h9-11,13H,4-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol?
(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 201.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 99995610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).