(2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one

C11H21NO3 — CID 126657322

IUPAC(2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C1(C)CN(C(=O)[C@H](C)O)CC1O
InChIInChI=1S/C11H21NO3/c1-7(2)11(4)6-12(5-9(11)14)10(15)8(3)13/h7-9,13-14H,5-6H2,1-4H3/t8-,9?,11?/m0/s1
InChIKeyRUZBSSGNTGDOTF-SILCLGDVSA-N
MW215.29 g/mol
LogP0.23
Rot. Bonds2

About (2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one

(2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 126657322) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID126657322
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C1(C)CN(C(=O)[C@H](C)O)CC1O
InChIInChI=1S/C11H21NO3/c1-7(2)11(4)6-12(5-9(11)14)10(15)8(3)13/h7-9,13-14H,5-6H2,1-4H3/t8-,9?,11?/m0/s1
InChIKeyRUZBSSGNTGDOTF-SILCLGDVSA-N
XLogP0.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one (CID 126657322) is (2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one is CC(C)C1(C)CN(C(=O)[C@H](C)O)CC1O.
What is the InChIKey of (2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is RUZBSSGNTGDOTF-SILCLGDVSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)11(4)6-12(5-9(11)14)10(15)8(3)13/h7-9,13-14H,5-6H2,1-4H3/t8-,9?,11?/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
(2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 215.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 126657322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).