5-(2-methoxybutan-2-yl)pyrrolidin-3-ol

C9H19NO2 — CID 130713260

IUPAC5-(2-methoxybutan-2-yl)pyrrolidin-3-ol
SMILESCCC(C)(OC)C1CC(O)CN1
InChIInChI=1S/C9H19NO2/c1-4-9(2,12-3)8-5-7(11)6-10-8/h7-8,10-11H,4-6H2,1-3H3
InChIKeyZLCYRSUURGABQQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.52
Rot. Bonds3

About 5-(2-methoxybutan-2-yl)pyrrolidin-3-ol

5-(2-methoxybutan-2-yl)pyrrolidin-3-ol (PubChem CID 130713260) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-(2-methoxybutan-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(2-methoxybutan-2-yl)pyrrolidin-3-ol
PubChem CID130713260
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-(2-methoxybutan-2-yl)pyrrolidin-3-ol
SMILESCCC(C)(OC)C1CC(O)CN1
InChIInChI=1S/C9H19NO2/c1-4-9(2,12-3)8-5-7(11)6-10-8/h7-8,10-11H,4-6H2,1-3H3
InChIKeyZLCYRSUURGABQQ-UHFFFAOYSA-N
XLogP0.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidin-3-ol
CID 121215757
(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
CID 155904303
ethane;5-(methoxymethyl)pyrrolidin-3-ol
CID 162382010
5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 144723505
(3S,5R)-5-(2-methoxyethyl)pyrrolidin-3-ol
CID 143593756
ethoxy-[(2S,4S)-4-hydroxypyrrolidin-2-yl]phosphinic acid
CID 131026513
4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119803231
5-(1-methoxypropan-2-yl)pyrrolidin-3-ol
CID 116503215
1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one
CID 59908097
(3R,5S)-5-(3,3-dimethylbut-1-ynyl)pyrrolidin-3-ol
CID 58790119
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxybutan-2-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(2-methoxybutan-2-yl)pyrrolidin-3-ol (CID 130713260) is 5-(2-methoxybutan-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(2-methoxybutan-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(2-methoxybutan-2-yl)pyrrolidin-3-ol is CCC(C)(OC)C1CC(O)CN1.
What is the InChIKey of 5-(2-methoxybutan-2-yl)pyrrolidin-3-ol?
The InChIKey is ZLCYRSUURGABQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-9(2,12-3)8-5-7(11)6-10-8/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 5-(2-methoxybutan-2-yl)pyrrolidin-3-ol?
5-(2-methoxybutan-2-yl)pyrrolidin-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxybutan-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130713260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).