(3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol

C11H23NO — CID 101210621

IUPAC(3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol
SMILESCCC(CC)N1C[C@H](C)[C@@](C)(O)C1
InChIInChI=1S/C11H23NO/c1-5-10(6-2)12-7-9(3)11(4,13)8-12/h9-10,13H,5-8H2,1-4H3/t9-,11-/m0/s1
InChIKeyKXTQLTRPICFQQT-ONGXEEELSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds3

About (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol

(3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol (PubChem CID 101210621) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol
PubChem CID101210621
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol
SMILESCCC(CC)N1C[C@H](C)[C@@](C)(O)C1
InChIInChI=1S/C11H23NO/c1-5-10(6-2)12-7-9(3)11(4,13)8-12/h9-10,13H,5-8H2,1-4H3/t9-,11-/m0/s1
InChIKeyKXTQLTRPICFQQT-ONGXEEELSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-3-methylpyrrolidine-3,4-diol
CID 167257793
1-pentan-3-ylpyrrolidine-3,4-diol
CID 106672556
1-ethyl-3,4-dimethylpiperidin-4-ol
CID 54248940
2-pentan-3-yl-2-azabicyclo[2.2.2]octane
CID 146362019
(2R)-2-(3-methylazetidin-1-yl)butan-1-ol
CID 107861648
3-chloro-4-methyl-1-pentan-3-ylpyrrolidine
CID 130909250
3,3-difluoro-1-pentan-3-ylazetidine
CID 176702068
4-chloro-3-methyl-1-pentan-3-ylpiperidine
CID 114682317
(3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
CID 72895263
3-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 103540425
(2R)-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 30081942
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
CID 166000535

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol (CID 101210621) is (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol is CCC(CC)N1C[C@H](C)[C@@](C)(O)C1.
What is the InChIKey of (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol?
The InChIKey is KXTQLTRPICFQQT-ONGXEEELSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10(6-2)12-7-9(3)11(4,13)8-12/h9-10,13H,5-8H2,1-4H3/t9-,11-/m0/s1.
What are the key properties of (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol?
(3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol is sourced from PubChem (CID 101210621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).