[(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol

C11H23NO2 — CID 102977101

IUPAC[(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol
SMILESCOC(C)(C)CCN1CCC[C@@H]1CO
InChIInChI=1S/C11H23NO2/c1-11(2,14-3)6-8-12-7-4-5-10(12)9-13/h10,13H,4-9H2,1-3H3/t10-/m1/s1
InChIKeySKCOVACVVYYCNK-SNVBAGLBSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds5

About [(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol

[(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol (PubChem CID 102977101) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol
PubChem CID102977101
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol
SMILESCOC(C)(C)CCN1CCC[C@@H]1CO
InChIInChI=1S/C11H23NO2/c1-11(2,14-3)6-8-12-7-4-5-10(12)9-13/h10,13H,4-9H2,1-3H3/t10-/m1/s1
InChIKeySKCOVACVVYYCNK-SNVBAGLBSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
[1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol
CID 114229114
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751
tert-butyl (2R)-1-(3-methoxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 102977800
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-yl]methanol
CID 140851328
ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
CID 77062920
[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 103857733
[1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115613879

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol (CID 102977101) is [(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol is COC(C)(C)CCN1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol?
The InChIKey is SKCOVACVVYYCNK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,14-3)6-8-12-7-4-5-10(12)9-13/h10,13H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of [(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol?
[(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102977101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).