(3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one

C6H11NO2 — CID 11194347

IUPAC(3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)[C@H](C)[C@H]1O
InChIInChI=1S/C6H11NO2/c1-3-5(8)4(2)7-6(3)9/h3-5,8H,1-2H3,(H,7,9)/t3-,4+,5-/m1/s1
InChIKeyAXGOQAKOHASVLT-MROZADKFSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds

About (3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one

(3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one (PubChem CID 11194347) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one
PubChem CID11194347
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)[C@H](C)[C@H]1O
InChIInChI=1S/C6H11NO2/c1-3-5(8)4(2)7-6(3)9/h3-5,8H,1-2H3,(H,7,9)/t3-,4+,5-/m1/s1
InChIKeyAXGOQAKOHASVLT-MROZADKFSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-methylazetidin-2-one
CID 13155286
(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one
CID 55302117
(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
CID 15432500
[(3S,4S,5S)-4,5-dimethyl-2-oxopyrrolidin-3-yl]carbamic acid
CID 166728578
(1R,2R,8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 15704323
(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
(3S,4S)-3-(tert-butylamino)-4-methylazetidin-2-one
CID 102000694
(3R,4R,5S)-5-(hydroxymethyl)-3,4-dimethylpyrrolidin-2-one
CID 129405542
3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one
CID 130855783
(3S,4S)-3-methoxy-4-methylazetidin-2-one
CID 55302503
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one?
The IUPAC name of (3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one (CID 11194347) is (3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for (3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one?
The canonical SMILES for (3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one is C[C@@H]1NC(=O)[C@H](C)[C@H]1O.
What is the InChIKey of (3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one?
The InChIKey is AXGOQAKOHASVLT-MROZADKFSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(8)4(2)7-6(3)9/h3-5,8H,1-2H3,(H,7,9)/t3-,4+,5-/m1/s1.
What are the key properties of (3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one?
(3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 11194347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).