(2R)-2-tert-butyl-1-methylpyrrolidin-3-ol

C9H19NO — CID 162765283

IUPAC(2R)-2-tert-butyl-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)[C@H]1C(C)(C)C
InChIInChI=1S/C9H19NO/c1-9(2,3)8-7(11)5-6-10(8)4/h7-8,11H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyDRTLQDKXBRDIJI-MQWKRIRWSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds

About (2R)-2-tert-butyl-1-methylpyrrolidin-3-ol

(2R)-2-tert-butyl-1-methylpyrrolidin-3-ol (PubChem CID 162765283) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R)-2-tert-butyl-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2R)-2-tert-butyl-1-methylpyrrolidin-3-ol
PubChem CID162765283
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2R)-2-tert-butyl-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)[C@H]1C(C)(C)C
InChIInChI=1S/C9H19NO/c1-9(2,3)8-7(11)5-6-10(8)4/h7-8,11H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyDRTLQDKXBRDIJI-MQWKRIRWSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Fluoropyrrolidin-1-yl)-4,4-dimethylpentan-2-ol
CID 58530503
(2S,3S,4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 161723469
(2R,3S,4S)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol
CID 166767220
(2R,3R,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol
CID 166767225
(2R,3R,4S)-2-tert-butyl-1-ethyl-4-fluoropyrrolidin-3-ol
CID 166767249
(2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol
CID 166767250
(2R,3R,4S)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol
CID 169666686
(2R,3S,4S)-1-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)pyrrolidin-3-ol
CID 169667021
(2R,3R,4S)-2-tert-butyl-4-fluoro-3-methoxy-1-propan-2-ylpyrrolidine
CID 169667030
(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol
CID 170015918
2-Methyl-1-(2-methylpropyl)pyrrolidin-3-ol
CID 101505439
1-Tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol
CID 155933674

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-1-methylpyrrolidin-3-ol?
The IUPAC name of (2R)-2-tert-butyl-1-methylpyrrolidin-3-ol (CID 162765283) is (2R)-2-tert-butyl-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (2R)-2-tert-butyl-1-methylpyrrolidin-3-ol?
The canonical SMILES for (2R)-2-tert-butyl-1-methylpyrrolidin-3-ol is CN1CCC(O)[C@H]1C(C)(C)C.
What is the InChIKey of (2R)-2-tert-butyl-1-methylpyrrolidin-3-ol?
The InChIKey is DRTLQDKXBRDIJI-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)8-7(11)5-6-10(8)4/h7-8,11H,5-6H2,1-4H3/t7?,8-/m0/s1.
What are the key properties of (2R)-2-tert-butyl-1-methylpyrrolidin-3-ol?
(2R)-2-tert-butyl-1-methylpyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 162765283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).