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

C8H17NO2 — CID 99995143

IUPAC(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
SMILESCOCCN1C[C@H](O)C[C@@H]1C
InChIInChI=1S/C8H17NO2/c1-7-5-8(10)6-9(7)3-4-11-2/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeySKSGRCRZAICPBH-JGVFFNPUSA-N
MW159.23 g/mol
LogP0.09
Rot. Bonds3

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

(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol (PubChem CID 99995143) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
PubChem CID99995143
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
SMILESCOCCN1C[C@H](O)C[C@@H]1C
InChIInChI=1S/C8H17NO2/c1-7-5-8(10)6-9(7)3-4-11-2/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeySKSGRCRZAICPBH-JGVFFNPUSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-5-propylpyrrolidin-3-ol
CID 102568675
(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995610
(3S,5R)-5-butyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 99995450
3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanethioamide
CID 130863708
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine
CID 154684230
1-(2-methoxyethyl)-2,6-dimethylazepane
CID 126991337
2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol
CID 156546441
1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine
CID 154684370
1-(cyclopentylmethyl)-5-methylpyrrolidin-3-ol
CID 127682151
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960
methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
CID 72691020

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol (CID 99995143) is (3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol is COCCN1C[C@H](O)C[C@@H]1C.
What is the InChIKey of (3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol?
The InChIKey is SKSGRCRZAICPBH-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7-5-8(10)6-9(7)3-4-11-2/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol?
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of 0.09, 3 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-methylpyrrolidin-3-ol is sourced from PubChem (CID 99995143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).