1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one

C15H28N2O3 — CID 99846838

IUPAC1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
SMILESCC[C@H](O)[C@@H]1CCCCN1C[C@@H](O)CN1CCCC1=O
InChIInChI=1S/C15H28N2O3/c1-2-14(19)13-6-3-4-8-16(13)10-12(18)11-17-9-5-7-15(17)20/h12-14,18-19H,2-11H2,1H3/t12-,13+,14+/m1/s1
InChIKeyXWWGBUFRGDHLSK-RDBSUJKOSA-N
MW284.40 g/mol
LogP0.60
Rot. Bonds6

About 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one

1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 99846838) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
PubChem CID99846838
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
SMILESCC[C@H](O)[C@@H]1CCCCN1C[C@@H](O)CN1CCCC1=O
InChIInChI=1S/C15H28N2O3/c1-2-14(19)13-6-3-4-8-16(13)10-12(18)11-17-9-5-7-15(17)20/h12-14,18-19H,2-11H2,1H3/t12-,13+,14+/m1/s1
InChIKeyXWWGBUFRGDHLSK-RDBSUJKOSA-N
XLogP0.60
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[(2R)-2-hydroxy-3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846837
(2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 99846844
1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111116570
1-[3-(3-ethylsulfanylazepan-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111117968
1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116454
1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111442533
1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 102554559
1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
CID 104753129
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 102287323
1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
CID 106288701
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one (CID 99846838) is 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one is CC[C@H](O)[C@@H]1CCCCN1C[C@@H](O)CN1CCCC1=O.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is XWWGBUFRGDHLSK-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-14(19)13-6-3-4-8-16(13)10-12(18)11-17-9-5-7-15(17)20/h12-14,18-19H,2-11H2,1H3/t12-,13+,14+/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one?
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 284.40 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 99846838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).