(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one

C11H21NO2 — CID 118444442

IUPAC(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(C)[C@]1(C)CCN(C(=O)[C@@H](C)O)C1
InChIInChI=1S/C11H21NO2/c1-8(2)11(4)5-6-12(7-11)10(14)9(3)13/h8-9,13H,5-7H2,1-4H3/t9-,11-/m1/s1
InChIKeyYFVDZYFFGGUMKO-MWLCHTKSSA-N
MW199.29 g/mol
LogP1.26
Rot. Bonds2

About (2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one

(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 118444442) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
PubChem CID118444442
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(C)[C@]1(C)CCN(C(=O)[C@@H](C)O)C1
InChIInChI=1S/C11H21NO2/c1-8(2)11(4)5-6-12(7-11)10(14)9(3)13/h8-9,13H,5-7H2,1-4H3/t9-,11-/m1/s1
InChIKeyYFVDZYFFGGUMKO-MWLCHTKSSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one (CID 118444442) is (2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one is CC(C)[C@]1(C)CCN(C(=O)[C@@H](C)O)C1.
What is the InChIKey of (2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is YFVDZYFFGGUMKO-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)11(4)5-6-12(7-11)10(14)9(3)13/h8-9,13H,5-7H2,1-4H3/t9-,11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one?
(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 118444442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).