(2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol

C10H21NO — CID 141320470

IUPAC(2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol
SMILESCC[C@@H](O)C[C@H]1CNC(C)(C)C1
InChIInChI=1S/C10H21NO/c1-4-9(12)5-8-6-10(2,3)11-7-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyIVSLCLKXNRHTHV-RKDXNWHRSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds3

About (2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol

(2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol (PubChem CID 141320470) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol
PubChem CID141320470
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol
SMILESCC[C@@H](O)C[C@H]1CNC(C)(C)C1
InChIInChI=1S/C10H21NO/c1-4-9(12)5-8-6-10(2,3)11-7-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyIVSLCLKXNRHTHV-RKDXNWHRSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-Diethylpyrrolidin-2-yl)propan-1-ol
CID 168433337
3-Fluoro-4-pyrrolidin-3-ylbutan-2-ol
CID 105431679
(1R)-2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-ol
CID 57907432
(1R)-2-methyl-1-[(2R)-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol
CID 57907505
(2R,5R)-5-pyrrolidin-3-ylhexan-2-ol
CID 60070291
2-Methyl-1-pyrrolidin-2-ylpentan-1-ol
CID 64089732
(1R)-2-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-1-ol
CID 68050492
3-(Pyrrolidin-2-ylmethyl)cyclopentan-1-ol
CID 69996386
(R)-3-(R)-1-pyrrolidin-2-ylmethyl-cyclopentanol
CID 69996388
3-[[(2R)-pyrrolidin-2-yl]methyl]cyclopentan-1-ol
CID 70134098
2-(2-Propan-2-ylpyrrolidin-3-yl)ethanol
CID 84073061
(1R)-2-methyl-1-(5-methylpyrrolidin-2-yl)propan-1-ol
CID 88975695

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol?
The IUPAC name of (2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol (CID 141320470) is (2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol is CC[C@@H](O)C[C@H]1CNC(C)(C)C1.
What is the InChIKey of (2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol?
The InChIKey is IVSLCLKXNRHTHV-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-9(12)5-8-6-10(2,3)11-7-8/h8-9,11-12H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol?
(2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-5,5-dimethylpyrrolidin-3-yl]butan-2-ol is sourced from PubChem (CID 141320470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).