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

C11H23NO2 — CID 99995450

IUPAC(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCCCC[C@@H]1C[C@H](O)CN1CCOC
InChIInChI=1S/C11H23NO2/c1-3-4-5-10-8-11(13)9-12(10)6-7-14-2/h10-11,13H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyBXTVTPFYUDYCPX-MNOVXSKESA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds6

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

(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol (PubChem CID 99995450) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol
PubChem CID99995450
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCCCC[C@@H]1C[C@H](O)CN1CCOC
InChIInChI=1S/C11H23NO2/c1-3-4-5-10-8-11(13)9-12(10)6-7-14-2/h10-11,13H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyBXTVTPFYUDYCPX-MNOVXSKESA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-5-propylpyrrolidin-3-ol
CID 102568675
(3R,5R)-1,5-dibutylpyrrolidin-3-ol
CID 99995389
(3S,5S)-5-butyl-1-(2-fluoroethyl)pyrrolidin-3-ol
CID 99995475
(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995610
(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol
CID 99995423
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
CID 99995143
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514
5-ethyl-1-propylpyrrolidin-3-ol
CID 102568661
(3S,5R)-1-butyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 124744564
(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
CID 99995289
tert-butyl (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol (CID 99995450) is (3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol is CCCC[C@@H]1C[C@H](O)CN1CCOC.
What is the InChIKey of (3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol?
The InChIKey is BXTVTPFYUDYCPX-MNOVXSKESA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-5-10-8-11(13)9-12(10)6-7-14-2/h10-11,13H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol?
(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol is sourced from PubChem (CID 99995450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).